SCHEMBL8099299

SCHEMBL8099299

CC(C)NC(=O)OC1SCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TACR1 P25103 3/20 0.35
UGT8 Q16880 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCR2 P41597 1/20 0.32
ACACB O00763 2/20 0.32
CMKLR1 Q99788 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL8104045 0.89 NPSR1 (0.46) NPSR1TSHRCYP1A2CYP2C19CCR2
SCHEMBL8098709 0.89 TRPM8 (0.39) NPSR1TRPM8
SCHEMBL8099316 0.85 TACR1 (0.33) TACR1TRPM8CCNE1CDK2
SCHEMBL8099351 0.84 RECQL (0.38) USP2CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL8105900 0.82 AR (0.41) CYP1A2CYP2D6UGT8CYP2C19ACACB
SCHEMBL8097690 0.81 TACR1 (0.31) TACR1
SCHEMBL8096910 0.80 CASP3 (0.37) USP2CYP3A4CYP2C9TSHRCYP1A2
SCHEMBL8099572 0.79 ACACB (0.47) NPSR1ACACBHSD17B10
SCHEMBL8107067 0.79 ACACB (0.47) NPSR1ACACBHSD17B10
SCHEMBL8105898 0.78 EPHX2 (0.35) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed