SCHEMBL9711752

SCHEMBL9711752

O=C1CC(c2ccccc2)NC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.43
HPD P32754 1/20 0.39
HDAC11 Q96DB2 1/20 0.38
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
SLC6A9 P48067 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
LPAR2 Q9HBW0 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
POLQ O75417 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9711591 0.89 MAPT (0.39) MAPT
SCHEMBL9711657 0.88 MRGPRX4 (0.42) HPDHDAC11AVPR2GPR27PARP1
SCHEMBL9711749 0.88 LMNA (0.38) HDAC11LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9711506 0.85 HPD (0.61) HPDLMNAMAPTHTTALDH1A1
SCHEMBL9711548 0.83 HDAC11 (0.43) CES2HDAC11PARP1PARP2
SCHEMBL9711648 0.82 CES2 (0.43) CES2LMNAMAPTSMN1; SMN2HTT
SCHEMBL9711629 0.77 ALDH1A1 (0.38) CES2LMNASMN1; SMN2ALDH1A1
SCHEMBL9711547 0.76 LDHA (0.41) LMNARXFP1ALDH1A1HPGD
SCHEMBL9711658 0.76 HSD11B1 (0.40) RXFP1
SCHEMBL9711573 0.76 CES2 (0.50) CES2HPDAVPR2GPR27SLC6A9

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