SCHEMBL9721333

SCHEMBL9721333

Cc1ccc(-c2cc(C=O)c(O)c3cc(C)c(C)cc23)cc1C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 15/20 0.42
▸ MCL1 Q07820 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTGS2 P35354 1/20 0.34

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
SCHEMBL9721275 0.87 TLR8 (0.40) ERN1MAPTALDH1A1
SCHEMBL9721232 0.79 APP (0.46) ERN1MAPTPTGS2
SCHEMBL5734028 0.76 ERN1 (0.46) ERN1MCL1MAPTALDH1A1LMNA
SCHEMBL9721301 0.76 ERN1 (0.47) ERN1
SCHEMBL9721357 0.75 TLR8 (0.37) ERN1
SCHEMBL9721340 0.72 ERN1 (0.46) ERN1MAPTALDH1A1LMNA
SCHEMBL9721255 0.72 ERN1 (0.39) ERN1MCL1MAPTALDH1A1LMNA
SCHEMBL7142672 0.72 ERN1 (0.41) ERN1MCL1MAPTALDH1A1LMNA
SCHEMBL5737950 0.71 MCL1 (0.50) ERN1MCL1ALDH1A1LMNA
SCHEMBL14580133 0.71 ALDH1A1 (0.43) ERN1MCL1ALDH1A1LMNAPTGS2

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 4 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
WO-1990011988-A1 SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-18 — — WO claimed
US-5112869-A SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-05-12 — — US disclosed
WO-1990011988-A1 SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-18 — — WO disclosed
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