SCHEMBL9164089

SCHEMBL9164089

CCc1ccc(CC(C)(C)[CH]CCCCc2ccc(C(C)C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
UCHL3 P15374 2/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.32
IDO1 P14902 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRB1 P08588 2/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MAOB P27338 2/20 0.30
ADRB2 P07550 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
SCHEMBL9848958 0.76 MAOB (0.46) L3MBTL1TAAR1LMNAMAOB
SCHEMBL139408 0.71 L3MBTL1 (0.56) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL3205913 0.71 TYR (0.44) S1PR1S1PR3UCHL3L3MBTL1HTR2A
SCHEMBL1611282 0.71 IDO1 (0.40) S1PR1S1PR3UCHL3L3MBTL1HTR2A
SCHEMBL9214298 0.71 SLC6A2 (0.44) L3MBTL1TAAR1LMNAMAOB
SCHEMBL9212318 0.70 HTR2A (0.50) UCHL3HTR2ALMNA
SCHEMBL8091009 0.69 HTR2A (0.56) UCHL3HTR2ALMNA
SCHEMBL1610696 0.69 IDO1 (0.39) S1PR1S1PR3UCHL3L3MBTL1HTR2A
SCHEMBL1611347 0.69 IDO1 (0.39) S1PR1S1PR3UCHL3L3MBTL1HTR2A
SCHEMBL5413888 0.69 TYR (0.45) TSHRMAPK1ATML3MBTL1IDO1

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-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed