SCHEMBL7744526

SCHEMBL7744526

COc1cccc(CC(=O)Cl)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1B10 O60218 1/20 0.39
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
GAA P10253 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KLKB1 P03952 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL2202601 0.86 HSD17B10 (0.46) MAPTSMN1; SMN2TSHRHTTLMNA
Hydrochloric Acid SCHEMBL9509325 0.85 HSD17B10 (0.45) MAPTSMN1; SMN2TSHRHTTLMNA
SCHEMBL17462499 0.80 SMN1; SMN2 (0.45) MAPTSMN1; SMN2TSHRL3MBTL1CA12
SCHEMBL2186854 0.79 MAPT (0.40) MAPTSMN1; SMN2TSHRLMNAAKR1B10
SCHEMBL30118919 0.79 LMNA (0.54) MAPTSMN1; SMN2TSHRLMNAGAA
SCHEMBL642278 0.79 LMNA (0.54) MAPTSMN1; SMN2TSHRLMNAGAA
SCHEMBL2532788 0.78 KMT2A (0.49) MAPTSMN1; SMN2TSHRLMNACA12
SCHEMBL10659718 0.74 CA1 (0.50) MAPTSMN1; SMN2TSHRHTTLMNA
SCHEMBL20844643 0.72 HSD17B10 (0.47) SMN1; SMN2LMNAL3MBTL1AKR1B1CA12
SCHEMBL8333881 0.72 L3MBTL1 (0.43) MAPTSMN1; SMN2HTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013103841-A1 METHODS FOR QUANTITATIVE CHIRAL DETERMINATION OF THE d- AND l- ENANTIOMERS OF AMPHETAMINE AND METHAMPHETAMINE CLINICAL REFERENCE LABORATORY, INC. (US) 2013-07-11 WO disclosed
EP-1066236-A4 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE RES FOUNDATION OF (US) 2001-06-06 EP disclosed
EP-1066236-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE The Research Foundation of State University of New York (US) 2001-01-10 EP disclosed
WO-1999050214-A1 PROCESS FOR HYDROCARBONYLATIONS IN SUPERCRITICAL CARBON DIOXIDE THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-07 WO disclosed
US-5962744-A USING CATALYST COMPLEX CONTAINING TRANSITION METAL AND PHOSPHITE LIGAND THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-10-05 US disclosed
US-5175344-A Anticonvulsants, anxiolytic agents CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed
US-4929760-A ENANTIOMORPHS, LIQUID CRYSTALS, FUNGICIDES, HERBICIDES SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1990-05-29 US disclosed