SCHEMBL9717512

SCHEMBL9717512

Cc1ccc(C=CCC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
GSK3B P49841 1/20 0.50
MAOB P27338 4/20 0.49
RAB9A P51151 4/20 0.49
MAOA P21397 3/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1B1 Q16678 2/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
PAM P19021 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
PKM P14618 2/20 0.44

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
SCHEMBL30621821 0.91 CYP1B1 (0.58) MAPTGSK3BMAOBRAB9AMAOA
SCHEMBL8726134 0.83 F3 (0.53) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL27334160 0.82 MAPT (0.50) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9044093 0.81 PAM (0.68) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL2608077 0.81 FOS (0.50) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9044098 0.81 PAM (0.68) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL9717482 0.81 F3 (0.58) MAPTGSK3BMAOBRAB9AMAOA
SCHEMBL7816689 0.79 GRIK1 (0.49) MAPTMAOBRAB9AMAOAPOLB
SCHEMBL28601348 0.79 MAPT (0.56) MAPTGSK3BMAOBRAB9AMAOA
SCHEMBL1158301 0.77 PAM (0.68) MAPTGSK3BMAOBRAB9AMAOA

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-5162285-A Carbonylation of Rhodium Salts, Reaction with Ozone or Oxygen PRINCETON UNIVERSITY (US) 1992-11-10 US disclosed
US-5126490-A Rhodium carbonyl catalyst PRINCETON UNIVERSITY (US) 1992-06-30 US disclosed