SCHEMBL11205375

SCHEMBL11205375

CCc1ccccc1Cc1ccccc1Cc1ccccc1CC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.57
GABRB2 P47870 4/20 0.57
HSPA5 P11021 1/20 0.46
MGLL Q99685 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CTSB P07858 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
NR3C1 P04150 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
SCHEMBL5256567 1.00 GABRA1 (0.57) GABRA1GABRB2HSPA5MGLLTP53
SCHEMBL25425763 0.90 GABRA1 (0.58) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL36294 0.90 GABRA1 (0.58) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL29390847 0.90 GABRA1 (0.58) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL11205678 0.87 HTR2A (0.54) GABRA1GABRB2TP53L3MBTL1LMNA
SCHEMBL11210876 0.87 TAAR1 (0.46) GABRA1GABRB2KMT2AALDH1A1
SCHEMBL6548002 0.87 TAAR1 (0.46) GABRA1GABRB2KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL2638008 0.87 GABRA1 (0.55) GABRA1GABRB2MGLLTP53MAPT
SCHEMBL14807864 0.87 GABRA1 (0.55) GABRA1GABRB2MGLLTP53MAPT
Benzene SCHEMBL3122858 0.87 TP53 (0.56) GABRA1GABRB2MGLLTP53MAPT

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-4371726-A Composition suitable for mechanical power transmission and process for operating traction drives NIPPON STEEL CHEMICAL CO., LTD. (JP) 1983-02-01 US disclosed