SCHEMBL9730464

SCHEMBL9730464

CCCCCC[C@H](C)Oc1ccc(C(=O)Cl)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NOX1 Q9Y5S8 1/20 0.36
RXRA P19793 1/20 0.36
PLA2G4B P0C869 1/20 0.36
HCAR3 P49019 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9730460 1.00 MAPT (0.40) MAPTALDH1A1FAAHTP53TSHR
SCHEMBL9141569 0.88 MAPT (0.55) MAPTALDH1A1TP53TSHRRXRA
SCHEMBL9730406 0.88 MAPT (0.55) MAPTALDH1A1TP53TSHRRXRA
SCHEMBL7555804 0.81 MAPT (0.50) MAPTALDH1A1TP53TSHRPLA2G4B
SCHEMBL9730675 0.80 MAPT (0.57) MAPTALDH1A1TP53TSHRPLA2G4B
SCHEMBL9730402 0.80 MAPT (0.57) MAPTALDH1A1TP53TSHRPLA2G4B
SCHEMBL10356272 0.80 GPR88 (0.46) MAPTALDH1A1FAAHTP53TSHR
SCHEMBL5096563 0.80 GPR88 (0.46) MAPTALDH1A1FAAHTP53TSHR
SCHEMBL7080085 0.77 RAB9A (0.41) MAPTALDH1A1FAAHKDM4EL3MBTL1
SCHEMBL10455055 0.76 RARB (0.48) MAPTALDH1A1FAAHTP53TSHR

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