SCHEMBL7656713

SCHEMBL7656713

CNC(=O)c1cc2ccc3c(c2c(-c2ccc(OC(F)(F)F)cc2)c1CO)OCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TEAD1 P28347 2/20 0.38
TEAD4 Q15561 2/20 0.38
TEAD2 Q15562 2/20 0.38
TEAD3 Q99594 2/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
TARBP2 Q15633 1/20 0.36
MAOB P27338 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PPARD Q03181 1/20 0.34
TP53 P04637 1/20 0.34
ALOX5 P09917 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
SCHEMBL7657876 0.89 ALDH1A1 (0.40) TARBP2
SCHEMBL7655215 0.87 PTGS2 (0.41) SMN1; SMN2TARBP2TP53ALOX5
SCHEMBL7656298 0.86 TDP1 (0.39) SMN1; SMN2TARBP2TP53ALOX5
SCHEMBL7660368 0.85 MAPT (0.39) SMN1; SMN2TARBP2TP53ALOX5
SCHEMBL6913771 0.85 ALOX5 (0.48) ALOX5
SCHEMBL7656347 0.84 ALOX5 (0.39) SMN1; SMN2TARBP2TP53ALOX5
SCHEMBL6914615 0.73 TARBP2 (0.46) TARBP2TP53ALOX5
SCHEMBL7662370 0.72 ALOX5 (0.65) TP53ALOX5
SCHEMBL8080370 0.72 ALOX5 (0.52) SMN1; SMN2ALOX5
SCHEMBL7656847 0.72 AURKA (0.46) ABL1SMN1; SMN2MAOBPPARDTP53

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed