SCHEMBL19738382

SCHEMBL19738382

C=Cc1ccc(-c2cccc(-c3ccc(CCCO)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ MAOB P27338 5/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ ASIC1 P78348 1/20 0.36
▸ HDAC2 Q92769 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ HDAC1 Q13547 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
SCHEMBL19730229 0.87 MEN1 (0.46) MAOBTAAR1LTA4HEPHX2MEN1
SCHEMBL3627943 0.85 ALDH1A1 (0.48) LTA4HEPHX2MEN1KMT2ACA2
SCHEMBL7518860 0.79 CA2 (0.46) MEN1KMT2ACA2HDAC2ALDH1A1
SCHEMBL3628949 0.79 CA2 (0.47) LTA4HEPHX2MEN1KMT2ACA2
SCHEMBL594542 0.79 ALDH1A1 (0.55) PTGS2MEN1ESR1KMT2ACA2
SCHEMBL19738421 0.78 AKR1B10 (0.44) PTGS2ALDH1A1
SCHEMBL19738381 0.78 AKR1B10 (0.44) PTGS2ALDH1A1
SCHEMBL19738194 0.78 AKR1B10 (0.44) PTGS2ALDH1A1
SCHEMBL23728076 0.78 CA2 (0.49) PTGS2MEN1ESR1KMT2ACA2
SCHEMBL23727929 0.78 CA2 (0.49) PTGS2MEN1ESR1KMT2ACA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170364025-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS FOR PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE INCLUDING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2017-12-21 — — US disclosed
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