SCHEMBL8899138

SCHEMBL8899138

C=CCC(C(=O)c1ccc(SC)cc1)(c1ccccc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 1/20 0.57
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.34
FKBP1A P62942 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
KIF11 P52732 1/20 0.34
HPGD P15428 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
SCHEMBL8897353 0.89 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1OPRM1
SCHEMBL8898762 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL8897848 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL8898210 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL8896884 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL10889012 0.81 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TSHRMAPK1OPRM1
SCHEMBL8899759 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL10888633 0.78 SMN1; SMN2 (0.70) ALDH1A1SMN1; SMN2TSHRMAPK1OPRM1
SCHEMBL8899115 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
Biphenyl SCHEMBL15988145 0.75 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629356-A PHOTOCURABLE COMPOSITION CONTAINING ETHYLENICALLY UNSATURATED PHOTOPOLYMERIZABLE COMPOUND AND THE AMINOACETOPHENONE CIBA GEIGY CORPORATION (US) 1997-05-13 US disclosed
US-5554663-A α-aminoacetophenones as photoinitiators CIBA-GEIGY CORPORATION (US) 1996-09-10 US disclosed
US-5534629-A PHOTOPOLYMERIZATION OF PIGMENTED SYSTEMS, INKS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed
EP-0284561-B1 ALPHA-AMINOACETOPHENONES AS PHOTO INITIATORS CIBA-GEIGY AG (CH) 1993-05-12 EP disclosed
US-5077402-A For photocuring pigmented systems; printing inks, lacquers CIBA-GEIGY CORPORATION (US) 1991-12-31 US disclosed
EP-0284561-A2 Alpha-aminoacetophenones as photo initiators CIBA-GEIGY AG (CH) 1988-09-28 EP disclosed