SCHEMBL9721344

SCHEMBL9721344

Cc1cc(-c2c(C)c(C)c(O)c3c(C)c(O)c(O)cc23)cc(O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ BCL2 P10415 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ BCL2L2 Q92843 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ACHE P22303 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 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
SCHEMBL9721279 0.84 CA1 (0.46) CA1CA2MEN1MAPTKMT2A
SCHEMBL9721303 0.81 SELL (0.37) BCL2BCL2L1MCL1BCL2L2MEN1
SCHEMBL10454937 0.80 CA1 (0.34) CA1CA2BCL2BCL2L1MCL1
SCHEMBL9721310 0.79 CYP3A4 (0.35) CA1CA2BCL2BCL2L1MCL1
SCHEMBL9721345 0.79 ACHE (0.38) ACHE
SCHEMBL9721281 0.77 CA1 (0.37) CA1CA2ACHE
SCHEMBL10454966 0.73 CYP3A4 (0.35) CA1CA2BCL2BCL2L1MCL1
SCHEMBL9721418 0.72 CA1 (0.36) CA1CA2MEN1MAPTKMT2A
SCHEMBL9721307 0.70 ERN1 (0.38) CA1CA2
SCHEMBL19126271 0.69 CA1 (0.78) CA1CA2MEN1MAPTKMT2A

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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