SCHEMBL4354052

SCHEMBL4354052

CC(F)C(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 1/20 0.38
KCNN4 O15554 3/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL12256221 0.82 MAPK1 (0.44) MAPK1ALDH1A1TSHRTAAR1ALOX15
SCHEMBL8805204 0.80 TAAR1 (0.44) MAPK1ALDH1A1TSHRTAAR1ALOX15
SCHEMBL575235 0.79 MAPK1 (0.46) MAPK1ALDH1A1TSHRTAAR1ALOX15
SCHEMBL9279074 0.79 MAPK1 (0.46) MAPK1ALDH1A1TSHRTAAR1ALOX15
SCHEMBL4352236 0.77 MAPK1 (0.44) MAPK1ALDH1A1TSHRTAAR1ALOX15
SCHEMBL27656872 0.77 ALDH1A1 (0.43) MAPK1ALDH1A1TSHRTAAR1ALOX15
SCHEMBL22730217 0.77 MAPK1 (0.44) MAPK1ALDH1A1TSHRTAAR1ALOX15
SCHEMBL2429063 0.77 ALDH1A1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL4001430 0.75 ALDH1A1 (0.48) MAPK1ALDH1A1TSHRTAAR1ALOX15
SCHEMBL20999978 0.75 TAAR1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1

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-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
US-7615316-B2 Nonaqueous electrolytic solution and lithium secondary batteries UBE INDUSTRIES, LTD. (JP) 2009-11-10 US disclosed
EP-1361622-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERIES UBE INDUSTRIES (JP) 2008-06-04 EP disclosed
US-20080050658-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERIES UBE INDUSTRIES, LTD. (JP) 2008-02-28 US disclosed
US-7294436-B2 Nonaqueous electrolytic solution and lithium secondary batteries UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-20040121239-A1 Nonaqueous electrolytic solution and lithium secondary batteries UBE INDUSTRIES, LTD. (JP) 2004-06-24 US disclosed
EP-1361622-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERIES Ube Industries, Ltd. (JP) 2003-11-12 EP disclosed