SCHEMBL3432973

SCHEMBL3432973

C=CCc1ccc([S+](c2ccc(CC=C)cc2)c2ccc(CC=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
XDH P47989 1/20 0.45
MAPT P10636 4/20 0.43
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
CNR2 P34972 4/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 3/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
CNR1 P21554 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH2 P05091 1/20 0.43

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
SCHEMBL173301 0.84 ALDH1A1 (0.64) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL88854 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Bromide SCHEMBL8645583 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Water SCHEMBL29179560 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Phosphine SCHEMBL28908227 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Hydrogen Peroxide SCHEMBL5496256 0.78 ALDH1A1 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
Hydrogen Peroxide SCHEMBL7816450 0.78 ALDH1A1 (0.58) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL584333 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL10693711 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15
SCHEMBL6284374 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4SMN1; SMN2TP53ALOX15

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-7704668-B1 Photoresist compositions and methods and articles of manufacture comprising same ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2010-04-27 US disclosed