SCHEMBL7957261

SCHEMBL7957261

COC(=O)C=Cc1ccccc1CC=Cc1cccc(C)c1O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 13/20 0.76
▸ PTGER3 P43115 13/20 0.76
▸ PTGER2 P43116 13/20 0.76
▸ PTGER1 P34995 8/20 0.76
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX5 P09917 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ BACE1 P56817 1/20 0.39

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
SCHEMBL7957258 1.00 PTGER4 (0.76) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL7805023 0.86 PTGER2 (1.00) PTGER4PTGER3PTGER2PTGER1KMT2A
SCHEMBL7805026 0.86 PTGER2 (1.00) PTGER4PTGER3PTGER2PTGER1KMT2A
SCHEMBL7966426 0.79 PTGER4 (0.82) PTGER4PTGER3PTGER2PTGER1KMT2A
SCHEMBL7966425 0.79 PTGER4 (0.82) PTGER4PTGER3PTGER2PTGER1KMT2A
SCHEMBL7804187 0.77 PTGER2 (0.83) PTGER4PTGER3PTGER2PTGER1KMT2A
SCHEMBL7804194 0.77 PTGER2 (0.83) PTGER4PTGER3PTGER2PTGER1KMT2A
SCHEMBL7957266 0.77 PTGER4 (0.70) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL18802206 0.75 NFE2L2 (0.50) PTGER4PTGER3PTGER2ALDH1A1MAPT
SCHEMBL1157798 0.75 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211197-B1 CARBOXYLIC ACID OR TETRAZOLE DERIVATES; ANALGESICS, ANTIPYRETICS, AND ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION MERCK FROSST CANADA & CO. (CA) 2001-04-03 — — US disclosed
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