SCHEMBL3773865

SCHEMBL3773865

C=C(c1ccccc1)c1ccc2ccc(Cl)cc2n1.COC(=O)c1ccccc1CCCO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ SLC16A3 O15427 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL3809767 0.86 CYSLTR1 (0.41) PLA2G2AALDH1A1LMNACNR1MAPT
SCHEMBL5816742 0.82 ALDH1A1 (0.46) PLA2G2AALDH1A1LMNAABCG2KDM4E
SCHEMBL3773863 0.81 PLA2G2A (0.36) PLA2G2AALDH1A1LMNA
SCHEMBL1401179 0.81 PLA2G2A (0.36) PLA2G2AALDH1A1LMNA
SCHEMBL1401053 0.81 PLA2G2A (0.36) PLA2G2AALDH1A1LMNA
SCHEMBL3779589 0.81 PLA2G2A (0.36) PLA2G2A
SCHEMBL3780082 0.81 ABCG2 (0.36) PLA2G2AALDH1A1LMNAABCG2
SCHEMBL3809770 0.80 PLA2G2A (0.39) PLA2G2AALDH1A1ABCG2KDM4ECNR1
SCHEMBL1401180 0.78 PLA2G2A (0.38) PLA2G2AALDH1A1ABCG2KDM4ECNR1
SCHEMBL4957637 0.77 MAPT (0.44) PLA2G2AALDH1A1LMNATP53MAPT

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-7858793-B2 Methyl 2-[(3S)-[3-[2E)-(7-chloro quinolin-2-yl) ethenyl] phenyl]-3-halopropyl] benzoates SATYANARAYANA CHAVA 2010-12-28 — — US claimed
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