SCHEMBL8356358

SCHEMBL8356358

CC(C)(Cc1ccccc1)CC(C(=O)[O-])C(CC(C)(C)Cc1ccccc1)(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

nearest known ligand 0.34

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
ALPG P10696 1/20 0.33
MMP1 P03956 3/20 0.32
MMP9 P14780 3/20 0.32
MMP13 P45452 3/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRA P18433 1/20 0.32
PTPRB P23467 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
RECQL P46063 1/20 0.32
GHSR Q92847 3/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL8356359 0.81 SMN1; SMN2 (0.35) ALDH1A1MAPTMMP1MMP9MMP13
SCHEMBL6674070 0.77 ALPL (0.41) ALDH1A1MAPTALPLPOLBALPG
SCHEMBL8356356 0.74 ALPL (0.35) ALDH1A1MAPTALPLPOLBALPG
SCHEMBL17512884 0.70 CYP2C19 (0.36) ALDH1A1ALPLPOLBALPGMMP1
SCHEMBL7782717 0.70 ALDH1A1 (0.39) ALDH1A1MAPTPOLBCYP3A4CYP1A2
SCHEMBL8410580 0.68 TRPA1 (0.37) ALDH1A1POLBATML3MBTL1TRPA1
SCHEMBL8644485 0.68 HDAC3 (0.41) ALDH1A1MAPTMMP1MMP9TRPA1
SCHEMBL21269499 0.65 MMP8 (0.50) ALDH1A1ALPLPOLBALPGCYP3A4
SCHEMBL11571239 0.64 TAAR1 (0.50) CYP3A4CYP1A2RECQLMAPK1TRPA1
Potassium Ion SCHEMBL21269052 0.64 MMP8 (0.49) ALDH1A1ALPLPOLBALPGCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998120-A Process for making a direct dispersion of a photographically useful material EASTMAN KODAK COMPANY (US) 1999-12-07 US disclosed
US-5952521-A A DI-PHENYLALKYL SULPHOSUCCINATE DISPERSANT FOR IMPROVING PHOTOGRAPHIC PERFORMANCE WITH DISPERSIONS OF A PHOTOGRAPHIC COUPLER IN A HYDROPHILIC COLLOID EASTMAN KODAK COMPANY (US) 1999-09-14 US disclosed
US-5763150-A DISPERSING AIDS; PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1998-06-09 US disclosed