SCHEMBL9799535

SCHEMBL9799535

O/N=C(\c1cccc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.56
SRD5A2 P31213 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RX1 P51575 1/20 0.45
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL9799542 1.00 CES2 (0.56) CES2SRD5A2MEN1KMT2ALMNA
SCHEMBL9799873 1.00 CES2 (0.56) CES2SRD5A2MEN1KMT2ALMNA
SCHEMBL24683843 0.86 GAA (0.50) CES2SRD5A2MEN1KMT2AALDH1A1
SCHEMBL29824637 0.86 GAA (0.50) CES2SRD5A2MEN1KMT2AALDH1A1
SCHEMBL15761183 0.86 CES2 (0.53) CES2SRD5A2MEN1KMT2ANPSR1
SCHEMBL17134238 0.86 CES2 (0.53) CES2SRD5A2MEN1KMT2ANPSR1
SCHEMBL15082623 0.86 CES2 (0.53) CES2SRD5A2MEN1KMT2ALMNA
SCHEMBL3628848 0.78 KMT2A (0.62) CES2SRD5A2MEN1KMT2ANPSR1
SCHEMBL745694 0.78 CES2 (0.56) CES2SRD5A2MEN1KMT2ALMNA
SCHEMBL6626644 0.78 F2 (0.44) MEN1KMT2ALMNANPSR1POLB

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
US-5041663-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1991-08-20 US disclosed
US-5032169-A Antidotes for herbicides CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed