SCHEMBL5316103

SCHEMBL5316103

COC(=O)c1cccc(Sc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
RAB9A P51151 3/20 0.55
LOXL2 Q9Y4K0 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
HPGD P15428 6/20 0.49
ALDH1A1 P00352 5/20 0.49
POLB P06746 1/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
GABRG2 P18507 1/20 0.47

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
SCHEMBL31511812 0.92 TSHR (0.53) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL4810894 0.85 SMN1; SMN2 (0.57) TSHRRAB9AHPGDALDH1A1POLB
SCHEMBL16880833 0.85 ALDH1A1 (0.57) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL16880714 0.85 CYP4A11 (0.52) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL3201147 0.85 ALDH1A1 (0.55) TSHRRAB9ALOXL2CYP4F2CYP4A11
Diphenylsulfane SCHEMBL29164339 0.84 TSHR (0.68) TSHRRAB9AHPGDALDH1A1POLB
SCHEMBL9315162 0.84 CYP1A2 (0.60) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL5887658 0.84 TSHR (0.67) TSHRRAB9AHPGDALDH1A1POLB
SCHEMBL29571134 0.84 CYP1A2 (0.60) TSHRRAB9ALOXL2CYP4F2CYP4A11
SCHEMBL16881547 0.84 LOXL2 (0.49) TSHRRAB9ALOXL2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed