SCHEMBL21183308

SCHEMBL21183308

CCC(C)(c1ccc(C)cc1)c1ccc(C(C)(C)C(C)S)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.31
IDO1 P14902 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL19200293 0.84 TSHR (0.55) TSHRMAPTNPC1RAB9AHPGD
SCHEMBL28305275 0.79 TSHR (0.41) TSHRMAPTNPC1RAB9AIDO1
SCHEMBL24555480 0.75 ACHE (0.54) TSHRMAPTNPC1RAB9AMEN1
SCHEMBL822723 0.75 ACHE (0.54) TSHRMAPTHPGDMEN1ALDH1A1
SCHEMBL10631874 0.75 TSHR (0.44) TSHRMAPTNPC1RAB9AHPGD
SCHEMBL20133387 0.73 MAPT (0.50) TSHRMAPTNPC1RAB9AHPGD
P-Cresol SCHEMBL28091959 0.73 ESR1 (0.52) TSHRMAPTHPGDMEN1ALDH1A1
SCHEMBL12156568 0.72 ACHE (0.58) TSHRMAPTNPC1RAB9AALDH1A1
SCHEMBL25752511 0.70 TSHR (0.36) TSHRMAPTNPC1RAB9AALDH1A1
SCHEMBL28304318 0.70 CYP2D6 (0.44) MAPTNPC1RAB9AIDO1

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-20190230766-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJI XEROX CO., LTD. (JP) 2019-07-25 US disclosed