SCHEMBL11642145

SCHEMBL11642145

c1ccc(SCC(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
FFAR1 O14842 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33

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
SCHEMBL11131257 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL10080198 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL4984715 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL779142 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL377068 0.70 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL776327 0.70 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL1527726 0.70 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL98007 0.70 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL98008 0.70 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL3908119 0.70 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1MAOAMAOB

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-4121027-A FREE RADICAL POLYMERIZATION OF VINYL MONOMER(S) BASF AKTIENGESELLSCHAFT (DE) 1978-10-17 US claimed