SCHEMBL9730406

SCHEMBL9730406

CCCCCCC(C)Oc1ccc(C(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
HCAR3 P49019 3/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.46
RXRA P19793 2/20 0.46
PLA2G4B P0C869 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RARB P10826 4/20 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
SCHEMBL9141569 1.00 MAPT (0.55) MAPTHCAR3TP53TSHRALDH1A1
SCHEMBL9730464 0.88 MAPT (0.40) MAPTHCAR3TP53TSHRALDH1A1
SCHEMBL9730460 0.88 MAPT (0.40) MAPTHCAR3TP53TSHRALDH1A1
SCHEMBL9730910 0.83 MAPT (0.64) MAPTHCAR3L3MBTL1
SCHEMBL9730402 0.81 MAPT (0.57) MAPTTP53TSHRALDH1A1PLA2G4B
SCHEMBL9730675 0.81 MAPT (0.57) MAPTTP53TSHRALDH1A1PLA2G4B
SCHEMBL6946501 0.80 MAPT (0.69) MAPTHCAR3TP53TSHRPLA2G4B
SCHEMBL4276906 0.80 MAPT (0.69) MAPTHCAR3TP53TSHRPLA2G4B
SCHEMBL14125959 0.80 MAPT (0.69) MAPTHCAR3TP53TSHRPLA2G4B
SCHEMBL9578575 0.80 MAPT (0.69) MAPTHCAR3TP53TSHRPLA2G4B

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-5145601-A Ferroelectric liquid crystals with nicotinic acid cores THE UNIVERSITY OF COLORADO FOUNDATION INC. (US) 1992-09-08 US disclosed