SCHEMBL9711566

SCHEMBL9711566

CC1(C)CC(=O)C(C(=O)c2ccc(F)cc2C(F)(F)F)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
AR P10275 2/20 0.34
CRBN Q96SW2 1/20 0.34
P2RX7 Q99572 3/20 0.33
PGR P06401 1/20 0.33
WDR5 P61964 2/20 0.33
SMO Q99835 1/20 0.33
HSD17B2 P37059 1/20 0.33
GPR183 P32249 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9711482 0.88 CES2 (0.46) ARCRBNPGR
SCHEMBL9711480 0.80 HPD (0.45) KMT2AATMPGRMAPT
SCHEMBL9711563 0.78 KMT2A (0.38) KMT2AATMHCRTR1HCRTR2CRBN
SCHEMBL9711606 0.74 BACE1 (0.39) CRBN
SCHEMBL9711591 0.72 MAPT (0.39) KMT2AATMHCRTR1HCRTR2AR
SCHEMBL9711513 0.72 SLC6A4 (0.31)
SCHEMBL9711670 0.71 HTT (0.31)
SCHEMBL16832049 0.70 L3MBTL1 (0.44) KMT2AATMHCRTR1HCRTR2P2RX7
SCHEMBL9711467 0.69 HPD (0.43) KMT2AMAPT
SCHEMBL9711542 0.67 HPD (0.41) KMT2AMAPK1MAPT

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