SCHEMBL9721357

SCHEMBL9721357

Cc1cc(-c2cc(C=O)c(O)c3c(C)c(O)c(C)cc23)ccc1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.37
▸ ERN1 O75460 7/20 0.36
▸ HSD17B1 P14061 2/20 0.35
▸ HSD17B2 P37059 2/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ ESR2 Q92731 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ HSD17B14 Q9BPX1 1/20 0.33

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 0.82 TLR8 (0.40) TLR8ERN1HSD17B1HSD17B2CHEK1
SCHEMBL9721307 0.81 ERN1 (0.38) ERN1
SCHEMBL9721313 0.79 ERN1 (0.41) ERN1ESR1
SCHEMBL9721333 0.75 ERN1 (0.42) ERN1
SCHEMBL9721235 0.71 ERN1 (0.41) ERN1
SCHEMBL9721297 0.69 CA1 (0.43) TLR8HSD17B1HSD17B2ESR2ESR1
SCHEMBL9721232 0.69 APP (0.46) ERN1
SCHEMBL13623366 0.66 ERN1 (0.58) ERN1
SCHEMBL9721278 0.65 KDM4E (0.40) ERN1
SCHEMBL9721322 0.65 CYP3A4 (0.40) ERN1ESR1

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 3 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
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