SCHEMBL8971473

SCHEMBL8971473

CCc1ccc(C(=O)[O-])cc1.[Na+]

nearest known ligand 0.63

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 15/20 0.63
▸ CA1 known ✓ P00915 14/20 0.63
▸ CA4 known ✓ P22748 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.61
▸ PLK1 P53350 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6909397 0.95 ALDH1A1 (0.61) CA2CA1ALDH1A1PLK1SMN1; SMN2
SCHEMBL11301115 0.95 ALDH1A1 (0.61) CA2CA1ALDH1A1PLK1SMN1; SMN2
SCHEMBL6914482 0.95 ALDH1A1 (0.61) CA2CA1ALDH1A1PLK1SMN1; SMN2
SCHEMBL6909427 0.95 ALDH1A1 (0.61) CA2CA1ALDH1A1PLK1SMN1; SMN2
Zinc Ion SCHEMBL6915462 0.95 ALDH1A1 (0.61) CA2CA1ALDH1A1PLK1SMN1; SMN2
SCHEMBL10547836 0.95 ALDH1A1 (0.61) CA2CA1ALDH1A1PLK1SMN1; SMN2
Potassium Ion SCHEMBL6911291 0.95 ALDH1A1 (0.61) CA2CA1ALDH1A1PLK1SMN1; SMN2
SCHEMBL6909054 0.95 ALDH1A1 (0.61) CA2CA1ALDH1A1PLK1SMN1; SMN2
SCHEMBL6913292 0.95 ALDH1A1 (0.61) CA2CA1ALDH1A1PLK1SMN1; SMN2
SCHEMBL6907759 0.95 ALDH1A1 (0.61) CA2CA1ALDH1A1PLK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108913116-B Supercritical carbon dioxide reverse-phase association fracturing fluid and preparation method and application thereof 山东大学 2021-04-16 — — CN claimed
EP-0400657-B1 Process for developing of ps plates requiring no dampening water FUJI PHOTO FILM CO LTD (JP) 1996-03-27 — — EP claimed
US-5290665-A Process for developing PS plate requiring no dampening water wherein the developer comprises, water, a solubilizer and an ethylene glycol mono(alkyl C6 -C8) ether derivative FUJI PHOTO FILM CO., LTD. (JP) 1994-03-01 — — US claimed
EP-0400657-A2 Process for developing of ps plates requiring no dampening water Fuji Photo Film Co., Ltd. (JP) 1990-12-05 — — EP claimed
CN-108913116-B Supercritical carbon dioxide reverse-phase association fracturing fluid and preparation method and application thereof 山东大学 2021-04-16 — — CN disclosed
CN-108315000-B Hydrophobically associating polymer-surfactant composition and binary composite flooding system 中国石油化工股份有限公司 2020-09-04 — — CN disclosed
EP-0400657-B1 Process for developing of ps plates requiring no dampening water FUJI PHOTO FILM CO LTD (JP) 1996-03-27 — — EP disclosed
US-5290665-A Process for developing PS plate requiring no dampening water wherein the developer comprises, water, a solubilizer and an ethylene glycol mono(alkyl C6 -C8) ether derivative FUJI PHOTO FILM CO., LTD. (JP) 1994-03-01 — — US disclosed
EP-0400657-A2 Process for developing of ps plates requiring no dampening water Fuji Photo Film Co., Ltd. (JP) 1990-12-05 — — EP disclosed
Send feedback