SCHEMBL7993149

SCHEMBL7993149

OCCCCCSc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
CA2 P00918 2/20 0.41
TLR8 Q9NR97 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGFR P43088 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4089162 0.80 CA2 (0.53) KDM4ECA2TLR8
SCHEMBL27870807 0.80 KDM4E (0.55) KDM4EGAAALDH1A1POLBATM
SCHEMBL11449929 0.78 KIF11 (0.57) KDM4EGAAALDH1A1POLBATM
SCHEMBL12879674 0.77 GAA (0.52) KDM4EGAAALDH1A1POLBATM
SCHEMBL3646830 0.77 KDM4E (0.49) KDM4EGAAALDH1A1POLBATM
SCHEMBL3646958 0.77 KDM4E (0.49) KDM4EGAAALDH1A1POLBATM
SCHEMBL20730089 0.77 CA2 (0.38) KDM4EGAAALDH1A1POLBATM
SCHEMBL3390451 0.76 MAOA (0.46) ALDH1A1L3MBTL1MAPTCA2MEN1
SCHEMBL12276383 0.75 KDM4E (0.55) KDM4EGAAALDH1A1POLBATM
SCHEMBL27722503 0.74 KDM4E (0.53) KDM4EGAAALDH1A1POLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000015606-A1 SUBSTITUTED N-ARYL-O-ALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-23 WO disclosed
WO-2000010971-A1 SUBSTITUTED N-ARYL-O-ALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed