SCHEMBL9721275

SCHEMBL9721275

Cc1cc(-c2cc(C=O)c(O)c3cc(O)c(C)cc23)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.40
▸ ERN1 O75460 8/20 0.39
▸ HSD17B1 P14061 2/20 0.37
▸ HSD17B2 P37059 2/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ G6PD P11413 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL9721333 0.87 ERN1 (0.42) ERN1ALDH1A1MAPT
SCHEMBL9721232 0.85 APP (0.46) ERN1KDM4EMAPT
SCHEMBL9721357 0.82 TLR8 (0.37) TLR8ERN1HSD17B1HSD17B2CHEK1
SCHEMBL9721339 0.75 TLR8 (0.51) TLR8HSD17B1HSD17B2ESR2KDM4E
SCHEMBL9721314 0.74 ERN1 (0.39) TLR8ERN1HSD17B1HSD17B2CHEK1
SCHEMBL9721301 0.73 ERN1 (0.47) ERN1ALOX15ALOX12
SCHEMBL9721340 0.69 ERN1 (0.46) ERN1ESR2KDM4EALDH1A1CYP1A2
SCHEMBL9721292 0.68 HSD17B1 (0.41) TLR8HSD17B1HSD17B2ESR2KDM4E
SCHEMBL9721313 0.68 ERN1 (0.41) ERN1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL9721307 0.68 ERN1 (0.38) ERN1

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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