SCHEMBL15680328

SCHEMBL15680328

COc1ccc(COc2ccc(C(=N)C(=O)O)c(Cl)c2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PLA2G4B P0C869 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FFAR1 O14842 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ MRGPRX4 Q96LA9 3/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MTNR1A P48039 1/20 0.40

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
SCHEMBL15680349 0.88 POLB (0.47) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL29556671 0.88 POLB (0.47) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL9356550 0.88 POLB (0.52) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL20886449 0.86 POLB (0.47) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL29556668 0.86 POLB (0.47) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL12381629 0.85 MAOB (0.50) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL14699786 0.84 MAPT (0.48) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL15495478 0.84 LMNA (0.47) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL17191989 0.84 POLB (0.43) POLBNPC1RAB9ASMN1; SMN2PLA2G4B
SCHEMBL17191987 0.84 POLB (0.43) POLBNPC1RAB9ASMN1; SMN2PLA2G4B

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
WO-2019070052-A1 NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND OR SALT, AND APPLICATION THEREOF 富士フイルム株式会社 2019-04-11 — — WO disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 — — WO disclosed
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