SCHEMBL6536310

SCHEMBL6536310

B(OCSc1ccccc1)OCSc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 1/20 0.50
FFAR1 O14842 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MGLL Q99685 1/20 0.38
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL3131963 0.77 ALDH1A1 (0.57) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL18911565 0.77 ALDH1A1 (0.57) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL8873004 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL942119 0.73 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL12110732 0.71 ALDH1A1 (0.50) ALDH1A1MAPK1FFAR1CYP1A2CYP2C19
SCHEMBL10911324 0.71 ALDH1A1 (0.50) ALDH1A1MAPK1FFAR1NPC1MEN1
Fluoride SCHEMBL1336321 0.71 ALDH1A1 (0.50) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL23618758 0.70 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL16893596 0.70 ALDH1A1 (0.48) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4
SCHEMBL10401993 0.68 FFAR1 (0.54) ALDH1A1MAPK1FFAR1CYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414955-A4 COMPOSITIONS FOR ENHANCED CATALYZED REPORTER DEPOSITION PERKINELMER LIFE SCIENCES INC (US) 2004-10-06 EP disclosed
EP-1414955-A2 COMPOSITIONS FOR ENHANCED CATALYZED REPORTER DEPOSITION Perkinelmer Life Sciences, Inc. (US) 2004-05-06 EP disclosed
WO-2003002733-A2 COMPOSITIONS FOR ENHANCED CATALYZED REPORTER DEPOSITION PERKINELMER LIFE SCIENCES, INC. (US) 2003-01-09 WO disclosed