SCHEMBL11521216

SCHEMBL11521216

CCC(OC(=O)c1ccccc1Nc1cccc(C)c1C)P(C)(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ PTGS2 P35354 3/20 0.53
▸ PTGS1 P23219 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ AKR1C3 P42330 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ AKR1B10 O60218 1/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ DHFR P00374 1/20 0.53
▸ MPO P05164 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ AKR1C2 P52895 1/20 0.53
▸ AKR1C1 Q04828 1/20 0.53
▸ NAPRT Q6XQN6 1/20 0.53

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
SCHEMBL11520899 0.78 LMNA (0.58) LMNAKMT2APTGS2PTGS1MEN1
SCHEMBL4427772 0.78 LMNA (0.54) LMNAKMT2APTGS2PTGS1MEN1
Hydrochloric Acid SCHEMBL2584594 0.78 LMNA (0.54) LMNAKMT2APTGS2PTGS1MEN1
SCHEMBL10593418 0.77 CYP3A4 (0.53) LMNAKMT2APTGS2PTGS1MEN1
SCHEMBL11521221 0.77 LMNA (0.53) LMNAKMT2APTGS2PTGS1MEN1
SCHEMBL30593451 0.77 PTGS2 (0.71) LMNAKMT2APTGS2PTGS1MEN1
SCHEMBL11344390 0.77 PTGS2 (0.71) LMNAKMT2APTGS2PTGS1MEN1
SCHEMBL11579672 0.76 RXFP1 (0.57) LMNACYP1A2CYP2C9AKR1C3MPO
Acetic Acid SCHEMBL28343506 0.75 LMNA (0.54) LMNAKMT2APTGS2PTGS1MEN1
SCHEMBL9733796 0.73 PTGS2 (0.66) LMNAKMT2APTGS2PTGS1MEN1

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
US-4160828-A ANTIINFLAMMATORY AND ANTIRHEUMATIC HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-10 — — US disclosed
US-4091095-A DIALKYLPHOSPHINYL-ALKYL ESTER OF A 2-(ARYL-AMINO) BENZOIC ACID, ANALGESICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-05-23 — — US disclosed
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