SCHEMBL7656847

SCHEMBL7656847

O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)c2c3c(ccc2c1)OCO3

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
TPX2 Q9ULW0 1/20 0.46
ABL1 P00519 1/20 0.45
MAOB P27338 1/20 0.41
PPARA Q07869 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
TP53 P04637 1/20 0.38
CFTR P13569 1/20 0.37
PTGER4 P35408 1/20 0.37
PPARD Q03181 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PIM1 P11309 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7662193 0.91 ABL1 (0.44) ABL1MAOBCA12CA9TP53
SCHEMBL7656276 0.86 P2RY14 (0.46)
SCHEMBL7656725 0.86 NR4A2 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL7652092 0.82 ALDH1A1 (0.50) TP53ALDH1A1MAPK1
SCHEMBL7659425 0.76 PLAU (0.44) ALDH1A1SMN1; SMN2
SCHEMBL7656713 0.72 ABL1 (0.40) ABL1MAOBTP53PPARDSMN1; SMN2
SCHEMBL7652482 0.71 CHEK2 (0.47) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8154120 0.70 ALOX5 (0.39) ABL1CA12CA9
SCHEMBL7663316 0.69 GABRA1 (0.45)
SCHEMBL7657293 0.69 UCHL1 (0.46) ABL1

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