SCHEMBL13367108

SCHEMBL13367108

CC(C)C(CC(C)(C)C)c1ccc(S)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A4 P31645 1/20 0.31
RIPK1 Q13546 1/20 0.31
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
CYP1A2 P05177 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
AR P10275 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
DRD1 P21728 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL903671 0.79 ESR1 (0.54) TAAR1SLC6A2SLC6A3LMNAESR1
SCHEMBL13893479 0.79 ADRB2 (0.45) TAAR1SLC6A2SLC6A3SLC6A4LMNA
SCHEMBL12646169 0.79
SCHEMBL18811581 0.78 TAAR1 (0.59) TAAR1SLC6A2SLC6A3SLC6A4RIPK1
SCHEMBL19370881 0.76 TAAR1 (0.34) TAAR1
SCHEMBL14707187 0.76 CA1 (0.34) TAAR1SLC6A4TDP1
SCHEMBL14707188 0.76 PPARG (0.36) TAAR1SLC6A2SLC6A3SLC6A4LMNA
SCHEMBL18786287 0.76 SLC6A4 (0.44) TAAR1SLC6A2SLC6A3SLC6A4
SCHEMBL13003758 0.76 POLB (0.49) SLC6A4CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL13958028 0.76 TAAR1 (0.42) TAAR1SLC6A2SLC6A3SLC6A4

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
EP-2184642-A2 Lithographic printing plate precursor and method of preparing lithographic printing plate FUJIFILM Corporation (JP) 2010-05-12 EP disclosed