SCHEMBL9721418

SCHEMBL9721418

Cc1cc(-c2ccc(O)c3c(C)c(O)c(O)cc23)cc(O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ TLR8 Q9NR97 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CD38 P28907 1/20 0.33
▸ HSD17B14 Q9BPX1 1/20 0.32
▸ HSD17B1 P14061 2/20 0.31
▸ HSD17B2 P37059 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31

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
SCHEMBL9721297 0.87 CA1 (0.43) CA1CA2TLR8MAPTMEN1
SCHEMBL9721302 0.82 TLR8 (0.35) CA1CA2TLR8MAPTALDH1A1
SCHEMBL9721311 0.78 MAOA (0.36) TLR8ESR1ESR2CYP3A4
SCHEMBL9721291 0.78 TLR8 (0.36) CA1CA2TLR8MAPTALDH1A1
SCHEMBL9721245 0.75 MAPT (0.41) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9721344 0.72 CA1 (0.38) CA1CA2MAPTMEN1KMT2A
SCHEMBL10454937 0.72 CA1 (0.34) CA1CA2
SCHEMBL19126271 0.68 CA1 (0.78) CA1CA2MAPTMEN1KMT2A
SCHEMBL29006355 0.66 ESR2 (0.41) CA1CA2MAPTMEN1KMT2A
SCHEMBL10454966 0.66 CYP3A4 (0.35) CA1CA2MAPTMEN1KMT2A

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
WO-1990011988-A1 SUBSTITUTED 1-PHENYLNAPHTHALENES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-10-18 — — WO claimed
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