SCHEMBL9721314

SCHEMBL9721314

Cc1cc(-c2c(C=O)c(C=O)c(O)c3cc(O)c(C)cc23)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ HSD17B1 P14061 3/20 0.37
▸ HSD17B2 P37059 3/20 0.37
▸ ESR1 P03372 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ LDHB P07195 1/20 0.36

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
SCHEMBL9721316 0.91 ERN1 (0.39) ERN1HSD17B1HSD17B2ESR1CYP3A4
SCHEMBL9721255 0.87 ERN1 (0.39) ERN1ESR1CYP3A4MAPTMEN1
SCHEMBL9721268 0.83 NOX4 (0.42) ERN1CYP3A4MAPTMEN1KMT2A
SCHEMBL9721292 0.77 HSD17B1 (0.41) ESR2HSD17B1HSD17B2ESR1CYP3A4
SCHEMBL9721275 0.74 TLR8 (0.40) ERN1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL9721289 0.72 ALB (0.49) ERN1MAPTTP53LDHAALDH1A1
SCHEMBL9721269 0.68 SENP1 (0.36) HSD17B1HSD17B2CYP3A4MAPTKDM4E
SCHEMBL9721276 0.68 ESR1 (0.44) ERN1ESR2ESR1CYP3A4MAPT
SCHEMBL9721287 0.68 AKR1B1 (0.40) ERN1ESR1CYP3A4MAPTMEN1
SCHEMBL9721322 0.68 CYP3A4 (0.40) ERN1ESR1CYP3A4MAPTMEN1

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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