SCHEMBL30400548

SCHEMBL30400548

Cc1ccc(OP(=O)([O-])Oc2ccc(C)cc2C(C)(C)C)c(C(C)(C)C)c1.[Na+]

nearest known ligand 0.38

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 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 1/20 0.33
▸ PTGS1 known ✓ P23219 1/20 0.33
▸ PTGS2 known ✓ P35354 1/20 0.33
▸ GPR84 Q9NQS5 6/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL27890628 0.92 MEN1 (0.36) GPR84MEN1KMT2AUSP2LMNA
Lithium Ion SCHEMBL27874331 0.90 MEN1 (0.36) GPR84MEN1KMT2AUSP2LMNA
SCHEMBL27485917 0.90 MEN1 (0.36) GPR84MEN1KMT2AUSP2LMNA
SCHEMBL1487458 0.84 CYP3A4 (0.44) MEN1KMT2AUSP2LMNAACHE
SCHEMBL29773964 0.83 CA1 (0.39) GPR84ALDH1A1CA2
SCHEMBL227991 0.83 CA1 (0.39) GPR84ALDH1A1CA2
SCHEMBL2869215 0.81 INPPL1 (0.46) MEN1KMT2AUSP2LMNAALDH1A1
SCHEMBL5085354 0.81 MEN1 (0.39) GPR84MEN1KMT2AUSP2LMNA
Lithium Ion SCHEMBL225439 0.80 CA1 (0.39) GPR84ALDH1A1CA2SMN1; SMN2
Potassium Ion SCHEMBL31028100 0.80 CA1 (0.39) GPR84ALDH1A1CA2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916087-A Propylene terpolymer and heat-sealing film made therefrom 格雷斯公司 2024-04-19 — — CN disclosed
CN-116096810-A Phthalate-free polypropylene homopolymers with high stiffness properties 格雷斯公司 2023-05-09 — — CN disclosed
CN-116096549-A Oxidative decomposition-resistant polymer compositions and articles made therefrom 格雷斯公司 2023-05-09 — — CN disclosed
Send feedback