SCHEMBL10494178

SCHEMBL10494178

[CH2]c1cccc2c1CCCCc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NOS3 P29474 1/20 0.38
CES1 P23141 1/20 0.38
PNMT P11086 1/20 0.37
BCHE P06276 1/20 0.36
MEN1 O00255 1/20 0.35
KCNK2 O95069 1/20 0.35
KCNK10 P57789 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNK18 Q7Z418 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 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
SCHEMBL5489112 0.81 BCL2L1 (0.56) TSHRL3MBTL1BCL2L1BADNOS3
SCHEMBL6570394 0.79 BCL2L1 (0.54) TSHRL3MBTL1BCL2L1BADNOS3
SCHEMBL568779 0.78 TSHR (0.71) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL31430380 0.78 TSHR (0.71) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL135720 0.78 PNMT (0.53) HPGDMAOAMAOBCES1PNMT
SCHEMBL466394 0.77 BCL2L1 (0.50) TSHRBCL2L1BADCYP2A6MAOA
SCHEMBL11005936 0.77 TSHR (0.44) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL28373551 0.77 BCL2L1 (0.68) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL4974372 0.77 BCL2L1 (0.60) TSHRHPGDL3MBTL1BCL2L1BAD
SCHEMBL31135519 0.76 TSHR (0.67) TSHRHPGDL3MBTL1BCL2L1BAD

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-4837307-A [1,1'-biphenyl]compounds having a 2,2'-(alkyl)bridge and a 3-yl(substituted)methyl substituent FMC CORPORATION (US) 1989-06-06 US disclosed