SCHEMBL11829192

SCHEMBL11829192

O=C(O)CCC(Cl)c1ccc(-c2ccccc2)c(S)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGS1 P23219 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37

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
SCHEMBL11836851 0.86 ALOX5 (0.42) HPGDALDH1A1CYP2D6KDM4ETP53
SCHEMBL11830155 0.84 PRKAG1 (0.44) HPGDALDH1A1CYP2D6KDM4ETP53
SCHEMBL11826969 0.83 AKR1C3 (0.44) HPGDALDH1A1CYP2D6KDM4ETP53
SCHEMBL11825726 0.83 ALDH1A1 (0.38) HPGDALDH1A1CYP2D6KDM4ETP53
SCHEMBL11831306 0.83 AKR1C3 (0.56) HPGDPTGS1MEN1PTGS2KMT2A
SCHEMBL11829271 0.83 ADAMTS4 (0.38) HPGDALDH1A1CYP2D6KDM4ETP53
SCHEMBL11826110 0.83 HPGD (0.38) HPGDALDH1A1CYP2D6KDM4ETP53
SCHEMBL11827335 0.83 AKR1C3 (0.47) AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11836380 0.81 PTGS1 (0.38) HPGDALDH1A1CYP2D6KDM4ETP53
SCHEMBL11830219 0.80 FFAR1 (0.39) HPGDALDH1A1CYP2D6KDM4ETP53

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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