SCHEMBL8723191

SCHEMBL8723191

Clc1ccc(CCCCCCCCCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
SIGMAR1 Q99720 7/20 0.56
PLAAT3 P53816 1/20 0.54
PLAAT5 Q96KN8 1/20 0.54
PLAAT2 Q9NWW9 1/20 0.54
PLAAT4 Q9UL19 1/20 0.54
MAOA P21397 1/20 0.54
IGF1R P08069 1/20 0.53
ALOX15 P16050 1/20 0.53
HTR2A P28223 1/20 0.52
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
GPR84 Q9NQS5 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
KCNH2 Q12809 1/20 0.50

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
SCHEMBL12040532 1.00 MAOB (0.58) MAOBSIGMAR1PLAAT3PLAAT5PLAAT2
SCHEMBL10812127 0.93 HTR2A (0.60) MAOBSIGMAR1PLAAT3PLAAT5PLAAT2
SCHEMBL28966782 0.90 IGF1R (0.61) MAOBIGF1RALOX15GPR84KCNH2
SCHEMBL1115439 0.90 IGF1R (0.61) MAOBIGF1RALOX15GPR84KCNH2
SCHEMBL8196751 0.87 SIGMAR1 (0.58) MAOBSIGMAR1PLAAT3PLAAT5PLAAT2
SCHEMBL10365734 0.87 IGF1R (0.64) MAOBIGF1RALOX15GPR84KCNH2
1,4-Dichlorobenzene SCHEMBL11656231 0.87 KCNH2 (0.62) SIGMAR1HTR2AALDH1A1TP53KCNH2
Ammonia Solution, Strong SCHEMBL11188168 0.85 SIGMAR1 (0.56) MAOBSIGMAR1PLAAT3PLAAT5PLAAT2
SCHEMBL6546948 0.84 SIGMAR1 (0.71) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL1433686 0.84 SIGMAR1 (0.71) MAOBSIGMAR1MAOAMAPTRXFP1

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-5817775-A HYDROFORMYLATION CATALYST CELANESE INTERNATIONAL CORPORATION (US) 1998-10-06 US disclosed