SCHEMBL7440852

SCHEMBL7440852

COc1ccc(C=CC(=O)N2CCCCC2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
MAPT P10636 3/20 0.66
STAT6 P42226 1/20 0.66
TP53 P04637 1/20 0.66
HSD17B10 Q99714 1/20 0.66
LMNA P02545 1/20 0.63
GAA P10253 1/20 0.63
HPGD P15428 1/20 0.63
THRB P10828 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
GPR183 P32249 6/20 0.54
F3 P13726 1/20 0.51

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
SCHEMBL7440848 1.00 ALDH1A1 (0.66) ALDH1A1MAPTSTAT6TP53HSD17B10
SCHEMBL26550166 0.85 ALDH1A1 (0.64) ALDH1A1MAPTSTAT6TP53HSD17B10
SCHEMBL7436371 0.85 MAPT (0.60) ALDH1A1MAPTSTAT6TP53HSD17B10
SCHEMBL7436369 0.85 MAPT (0.60) ALDH1A1MAPTSTAT6TP53HSD17B10
SCHEMBL26550191 0.82 MAPT (0.56) ALDH1A1MAPTSTAT6TP53HSD17B10
SCHEMBL7431601 0.82 ALDH1A1 (0.59) ALDH1A1MAPTSTAT6TP53HSD17B10
SCHEMBL7431607 0.82 ALDH1A1 (0.59) ALDH1A1MAPTSTAT6TP53HSD17B10
SCHEMBL17327996 0.82 ALDH1A1 (0.73) ALDH1A1MAPTSTAT6TP53HSD17B10
SCHEMBL26550411 0.81 ALDH1A1 (0.55) ALDH1A1MAPTSTAT6TP53HSD17B10
SCHEMBL26550168 0.81 ALDH1A1 (0.59) ALDH1A1MAPTSTAT6TP53HSD17B10

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed