SCHEMBL8105719

SCHEMBL8105719

CC(C)(C)NC(=O)OC1SCN(c2ccc(F)c(C(F)(F)F)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.42
NOTUM Q6P988 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ACACB O00763 1/20 0.35
P2RX7 Q99572 2/20 0.34
KCNN4 O15554 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 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
SCHEMBL8097866 0.89 NOTUM (0.41) ARNOTUMP2RX7
SCHEMBL8105900 0.87 AR (0.41) ARNOTUMTAS1R3TAS1R1TAS1R2
SCHEMBL8105610 0.87 CYP1A2 (0.41)
SCHEMBL2053916 0.82 MEN1 (0.38) NOTUMACACB
SCHEMBL8099147 0.82 POLB (0.41)
SCHEMBL8099316 0.82 TACR1 (0.33)
SCHEMBL8105919 0.82 FFAR4 (0.34)
SCHEMBL8105911 0.82 KMT2A (0.35)
SCHEMBL8098702 0.81 ALDH1A1 (0.38)
SCHEMBL8103628 0.81 SLC6A4 (0.37)

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 3 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
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed