SCHEMBL7182176

SCHEMBL7182176

CCc1ccccc1OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ELANE P08246 2/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
AR P10275 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL28008661 0.84 ELANE (0.45) L3MBTL1MAPTNPSR1ELANEGABRA1
SCHEMBL15867625 0.84 ELANE (0.61) L3MBTL1MAPTNPSR1ELANEGABRA1
SCHEMBL28404237 0.82 ELANE (0.47) MAPTELANETSHRHSD17B10HPGD
SCHEMBL22137893 0.81 ELANE (0.53) L3MBTL1MAPTNPSR1ELANEGABRA1
SCHEMBL7064536 0.79 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1GABRA1GABRB2
SCHEMBL47950 0.79 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1GABRA1GABRB2
SCHEMBL29587376 0.79 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1GABRA1GABRB2
SCHEMBL7854576 0.78 L3MBTL1 (0.40) L3MBTL1MAPTNPSR1ELANEGABRA1
SCHEMBL6838181 0.78 ELANE (0.44) L3MBTL1MAPTNPSR1ELANESSTR1
SCHEMBL4324658 0.77 L3MBTL1 (0.48) L3MBTL1MAPTNPSR1GABRA1GABRB2

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-6541659-B1 Reacting anhydride with active-hydrogen-containing compound in presence of vanadyl salt catalyst to obtain high yield of acyl substitution reaction product with high chemoselectivity NATIONAL TAIWAN NORMAL UNIVERSITY (TW) 2003-04-01 US disclosed