SCHEMBL9721255

SCHEMBL9721255

Cc1ccc(-c2c(C=O)c(C=O)c(O)c3cc(C)c(C)cc23)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.39
▸ MCL1 Q07820 4/20 0.38
▸ AKR1B1 P15121 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ BCL2 P10415 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ BLM P54132 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL9721314 0.87 ERN1 (0.39) ERN1MCL1AKR1B1MAPTALDH1A1
SCHEMBL9721316 0.87 ERN1 (0.39) ERN1MCL1AKR1B1MAPTALDH1A1
SCHEMBL9721268 0.78 NOX4 (0.42) ERN1MAPTALDH1A1LMNAKDM4E
SCHEMBL9721289 0.75 ALB (0.49) ERN1MAPTALDH1A1LDHATP53
SCHEMBL9721361 0.75 SENP1 (0.39) MCL1MAPTNPC1BCL2SMN1; SMN2
SCHEMBL9721333 0.72 ERN1 (0.42) ERN1MCL1MAPTALDH1A1LMNA
SCHEMBL9721276 0.71 ESR1 (0.44) ERN1MAPTALDH1A1LMNAKDM4E
SCHEMBL9721322 0.71 CYP3A4 (0.40) ERN1MCL1AKR1B1MAPTALDH1A1
SCHEMBL9721287 0.71 AKR1B1 (0.40) ERN1MCL1AKR1B1MAPTALDH1A1
SCHEMBL5734028 0.67 ERN1 (0.46) ERN1MCL1AKR1B1MAPTALDH1A1

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-5112869-A SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-05-12 — — US claimed
US-5112869-A SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-05-12 — — US disclosed
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