SCHEMBL8105919

SCHEMBL8105919

CC(C)(C)NC(=O)OC1SCN(c2cc(C(F)(F)F)ccc2F)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 2/20 0.33
XBP1 P17861 1/20 0.33
HTR7 P34969 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CFTR P13569 1/20 0.32
HTT P42858 1/20 0.31
FPR1 P21462 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
SCHEMBL2053916 0.82 MEN1 (0.38) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL8099316 0.82 TACR1 (0.33) FFAR4MAPTTRPM8CCNE1CDK2
SCHEMBL8105719 0.82 AR (0.42)
SCHEMBL8788597 0.81 CNR1 (0.44) FFAR4MAPTALDH1A1NPSR1CCNE1
SCHEMBL8099269 0.80 NOTUM (0.38) ALDH1A1
SCHEMBL8788777 0.80 KDM4E (0.45) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8105898 0.79 EPHX2 (0.35) ALDH1A1SMN1; SMN2FPR2
SCHEMBL8105610 0.78 CYP1A2 (0.41) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8098695 0.78 MAPT (0.41) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL8788621 0.78 ACACB (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2

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