SCHEMBL9711749

SCHEMBL9711749

O=C1CC(c2ccccc2)NC(=O)C1C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
MAPT P10636 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MGLL Q99685 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2B P41595 1/20 0.36
MAPK14 Q16539 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CCR5 P51681 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL9711752 0.88 CES2 (0.43) LMNAMAPTHDAC11SMN1; SMN2ALDH1A1
SCHEMBL9711591 0.88 MAPT (0.39) MAPT
SCHEMBL9711629 0.84 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1
SCHEMBL9711658 0.82 HSD11B1 (0.40) MGLL
SCHEMBL9711543 0.82 LDHA (0.44) LMNASLC6A3SMN1; SMN2ALDH1A1
SCHEMBL9711557 0.81 ALDH1A1 (0.39) LMNAMGLLSMN1; SMN2ALDH1A1
SCHEMBL9711577 0.81 SMN1; SMN2 (0.37) LMNAMGLLSMN1; SMN2ALDH1A1
SCHEMBL9711646 0.81 ITGB1 (0.42) LMNASMN1; SMN2ALDH1A1
SCHEMBL9711548 0.81 HDAC11 (0.43) MGLLHDAC11
SCHEMBL9711657 0.80 MRGPRX4 (0.42) LMNAMAPTHDAC11SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed