SCHEMBL29336136

SCHEMBL29336136

CCC(C)N(Cc1ccc(SC)cc1)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 3/20 0.46
BMP1 P13497 1/20 0.45
GAA P10253 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
SLC6A4 P31645 8/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
APLNR P35414 1/20 0.37

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
SCHEMBL20871397 0.90 APLNR (0.44) SLC6A4TAAR1APLNR
SCHEMBL22340943 0.90 QPCT (0.45) QPCTBMP1GAACYP1A1CYP1A2
SCHEMBL29335346 0.87 BMP1 (0.50) QPCTBMP1GAACYP1A1CYP1A2
SCHEMBL22340664 0.85 CNR1 (0.47) SLC6A4MEN1KMT2ATAAR1APLNR
SCHEMBL20871404 0.85 CNR1 (0.47) SLC6A4MEN1KMT2ATAAR1APLNR
SCHEMBL29336140 0.83 MAPK1 (0.44) SLC6A4MEN1KMT2ATAAR1APLNR
SCHEMBL29336141 0.83 BCL2A1 (0.49) MEN1KMT2ATAAR1APLNR
SCHEMBL22340667 0.83 APP (0.46) SLC6A4TAAR1APLNR
SCHEMBL20871405 0.83 MEN1 (0.43) GAASLC6A4MEN1KMT2ATAAR1
SCHEMBL22340670 0.81 CYP19A1 (0.46) KMT2ATAAR1

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-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed