SCHEMBL11836653

SCHEMBL11836653

O=C(O)C(Cl)CCc1ccccc1-c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 7/20 0.49
▸ PTGER3 P43115 7/20 0.49
▸ PTGER1 P34995 6/20 0.49
▸ PTGER2 P43116 6/20 0.49
▸ CHRM1 P11229 4/20 0.46
▸ CHRM3 P20309 2/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ HSP90AA1 P07900 2/20 0.41
▸ HSP90AB1 P08238 2/20 0.41
▸ DCLRE1B Q9H816 1/20 0.40
▸ FOLH1 Q04609 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ BAD Q92934 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
SCHEMBL11824543 0.85 KMT2A (0.47) PTGER4PTGER3PTGER1PTGER2KMT2A
SCHEMBL11836649 0.81 MAOB (0.55) —
SCHEMBL9890642 0.80 CHRM1 (0.57) PTGER4PTGER3PTGER1PTGER2CHRM1
SCHEMBL11833616 0.79 DPP4 (0.46) KMT2A
SCHEMBL9392693 0.78 KMT2A (0.50) KMT2A
SCHEMBL11827466 0.76 CHRM1 (0.48) PTGER4PTGER3PTGER1PTGER2CHRM1
SCHEMBL11830344 0.74 MME (0.49) DCLRE1B
SCHEMBL28303450 0.73 KMT2A (0.68) PTGER4PTGER3PTGER1PTGER2KMT2A
SCHEMBL9289984 0.73 CHRM1 (0.49) PTGER4PTGER3PTGER1PTGER2CHRM1
SCHEMBL2393760 0.73 CHRM1 (0.56) PTGER4PTGER3PTGER1PTGER2CHRM1

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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