SCHEMBL9082681

SCHEMBL9082681

O=C(Cc1ccc(Oc2ccccc2)cc1)Nc1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ GAA P10253 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ SRD5A2 P31213 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ PKM P14618 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ACLY P53396 1/20 0.49
▸ SELL P14151 1/20 0.48
▸ SELP P16109 1/20 0.48
▸ KDM4C Q9H3R0 2/20 0.48
▸ KDM6B O15054 1/20 0.48
▸ KDM4D Q6B0I6 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.48
▸ SERPINE1 P05121 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2271181 0.88 GAA (0.60) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL22022887 0.86 MEN1 (0.76) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL5696409 0.85 ALDH1A1 (0.63) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL22022912 0.85 ALDH1A1 (0.57) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL9080159 0.84 ALDH1A1 (0.61) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL9080504 0.82 LPAR1 (0.50) ALDH1A1SRD5A2KDM4EKDM4CLMNA
SCHEMBL2271165 0.82 KDM4E (0.62) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8044298 0.81 ALDH1A1 (0.60) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8768524 0.81 ALDH1A1 (0.59) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL9079780 0.81 KDM4E (0.67) MEN1KMT2AGAAALDH1A1KDM4E

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
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 — — WO disclosed
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