SCHEMBL9765840

SCHEMBL9765840

CCOC(C)COS(=O)(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
HPGD P15428 3/20 0.44
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
FPR1 P21462 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
FAAH O00519 1/20 0.38
ELANE P08246 1/20 0.38
PRTN3 P24158 1/20 0.38
CA5A P35218 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL10916650 0.82 KMT2A (0.52) KMT2AHPGDALDH1A1HSD17B10FPR1
SCHEMBL5147553 0.81 KMT2A (0.47) KMT2AHPGDALDH1A1HSD17B10FPR1
SCHEMBL354454 0.79 KMT2A (0.57) KMT2AHPGDALDH1A1CA1CA2
Benzene SCHEMBL28852658 0.79 KMT2A (0.57) KMT2AHPGDALDH1A1CA1CA2
SCHEMBL10486338 0.79 KMT2A (0.49) KMT2AHPGDALDH1A1HSD17B10CA1
SCHEMBL4753848 0.79 KMT2A (0.49) KMT2AHPGDALDH1A1HSD17B10FPR1
SCHEMBL6916203 0.78 KMT2A (0.47) KMT2AHPGDALDH1A1HSD17B10FPR1
SCHEMBL4990043 0.75 KMT2A (0.52) KMT2AHPGDCA1CA2CA9
SCHEMBL27801072 0.75 KMT2A (0.52) KMT2AHPGDHSD17B10CA1CA2
SCHEMBL9765834 0.74 KMT2A (0.41) KMT2AALDH1A1HTTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013863-A Learning enhancement CIBA-GEIGY CORPORATION (US) 1991-05-07 US disclosed