SCHEMBL9711657

SCHEMBL9711657

O=C1CC(c2ccccc2)NC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
HPD P32754 1/20 0.39
AVPR2 P30518 1/20 0.37
GPR27 Q9NS67 1/20 0.37
LDHA P00338 3/20 0.37
PBRM1 Q86U86 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
NTRK1 P04629 2/20 0.36
LDHB P07195 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAT2A P31153 1/20 0.35
PARP1 P09874 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) MRGPRX4HPDAVPR2GPR27HDAC11
SCHEMBL9711547 0.86 LDHA (0.41) LDHALDHBLMNAMEN1ALDH1A1
SCHEMBL9711543 0.84 LDHA (0.44) LDHALDHBSMN1; SMN2LMNAALDH1A1
SCHEMBL9711506 0.84 HPD (0.61) HPDMAPTHTTLMNAMEN1
SCHEMBL9711615 0.83 LDHA (0.42) LDHALDHBSMN1; SMN2LMNAMEN1
SCHEMBL9711548 0.82 HDAC11 (0.43) HDAC11PARP1PARP2
SCHEMBL9711648 0.81 CES2 (0.43) MAPTSMN1; SMN2HTTLMNAMEN1
SCHEMBL9711624 0.80 LDHA (0.41) LDHALDHBSMN1; SMN2LMNAMEN1
SCHEMBL9711749 0.80 LMNA (0.38) HDAC11MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL9711591 0.80 MAPT (0.39) LDHAMAPTKMT2A

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