SCHEMBL9680113

SCHEMBL9680113

Cc1c(CC(=O)O)c2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 8/20 0.62
PLA2G2A P14555 6/20 0.61
PLA2G1B P04054 1/20 0.61
PTGDR2 Q9Y5Y4 1/20 0.57
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 3/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 2/20 0.56
TSHR P16473 2/20 0.56
CYP2C19 P33261 2/20 0.56
PMP22 Q01453 2/20 0.56
MEN1 O00255 1/20 0.56
RGS12 O14924 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
GNAI1 P63096 1/20 0.56
KMT2A Q03164 1/20 0.56

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
Water SCHEMBL9140709 0.99 ALOX5AP (0.61) ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4
Water SCHEMBL9140717 0.99 ALOX5AP (0.61) ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4
SCHEMBL9140666 0.97 PLA2G2A (0.65) ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4
SCHEMBL2746925 0.96 ALOX5AP (0.68) ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4
Hydrochloric Acid SCHEMBL9138311 0.95 ALOX5AP (0.67) ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4
SCHEMBL9447692 0.95 CYP3A4 (0.64) ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4
SCHEMBL9447721 0.95 PTGS2 (0.64) ALOX5APPLA2G2APLA2G1BPTGDR2PTGS2
SCHEMBL9138282 0.95 PLA2G2A (0.59) ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4
Water SCHEMBL9146626 0.94 CYP3A4 (0.63) ALOX5APPLA2G2APLA2G1BPTGDR2CYP3A4
Water SCHEMBL9142980 0.94 PTGS2 (0.63) ALOX5APPLA2G2APLA2G1BPTGDR2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502106-A1 SUBSTITUTED INDOLE-, INDENE-, PYRANOINDOLE- AND TETRAHYDROCARBAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-09 EP claimed
WO-1991006537-A2 SUBSTITUTED INDOLE-, INDENE-, PYRANOINDOLE- AND TETRAHYDROCARBAZOLE- ALKANOIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-16 WO claimed