SCHEMBL9276452

SCHEMBL9276452

CCCc1ccc(-c2ccc(C(C)c3ccc(Cl)cc3)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.39
▸ RARB P10826 1/20 0.39
▸ PSEN1 P49768 2/20 0.39
▸ PSEN2 P49810 2/20 0.39
▸ APH1B Q8WW43 2/20 0.39
▸ NCSTN Q92542 2/20 0.39
▸ APH1A Q96BI3 2/20 0.39
▸ PSENEN Q9NZ42 2/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ CHKA P35790 1/20 0.37
▸ CYP2C19 P33261 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ AKR1C3 P42330 3/20 0.36
▸ AKR1C2 P52895 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ KMT2A Q03164 2/20 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
SCHEMBL8375674 0.91 RARB (0.50) APPRARBPSEN1PSEN2APH1B
SCHEMBL8857691 0.90 RARB (0.45) RARBGRM2CHKAMCHR1MEN1
SCHEMBL9270795 0.89 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8378005 0.89 KMT2A (0.40) APPRARBPSEN1PSEN2APH1B
SCHEMBL17586079 0.87 RARB (0.43) RARBGRM2CHKAMCHR1MEN1
SCHEMBL8507964 0.87 RARB (0.46) RARBGRM2CHKAMCHR1MEN1
SCHEMBL9399967 0.81 RARB (0.52) RARBCHKAMAPTNPC1TP53
SCHEMBL8857743 0.80 RARB (0.58) RARBGRM2CHKACYP2C19CYP2C9
SCHEMBL9796203 0.80 RARB (0.52) APPRARBPSEN1PSEN2APH1B
SCHEMBL8375685 0.80 RARB (0.52) RARB

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
EP-0657039-A1 PAPER WHITE PDLC SYSTEM MERCK PATENT GmbH (DE) 1995-06-14 — — EP disclosed
WO-1994004958-A1 PAPER WHITE PDLC SYSTEM MERCK PATENT GMBH (DE) 1994-03-03 — — WO disclosed
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