SCHEMBL9721313

SCHEMBL9721313

Cc1cc(-c2cc(C=O)c(O)c3c(C)c(C)c(C)cc23)cc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 16/20 0.41
▸ ALB P02768 1/20 0.33
▸ BCL2 P10415 2/20 0.32
▸ MCL1 Q07820 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LDHA P00338 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ LDHB P07195 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ AR P10275 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL9721307 0.81 ERN1 (0.38) ERN1
SCHEMBL9721357 0.79 TLR8 (0.37) ERN1ESR1
SCHEMBL9721235 0.76 ERN1 (0.41) ERN1
SCHEMBL9721287 0.73 AKR1B1 (0.40) ERN1ALBBCL2MCL1KDM4E
SCHEMBL9721333 0.71 ERN1 (0.42) ERN1MCL1ALDH1A1LMNAMAPT
SCHEMBL14031706 0.70 ERN1 (0.58) ERN1ALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL9721278 0.70 KDM4E (0.40) ERN1KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL9721291 0.69 TLR8 (0.36) MCL1KDM4EALDH1A1ESR1TP53
SCHEMBL9721275 0.68 TLR8 (0.40) ERN1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL9721281 0.67 CA1 (0.37) LDHALDHB

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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