SCHEMBL9680392

SCHEMBL9680392

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TSHR P16473 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL381975 0.83 TSHR (0.52) ALDH1A1TSHRSMN1; SMN2MAPK1HTT
SCHEMBL1696905 0.81 ALDH1A1 (0.56) ALDH1A1TSHRSMN1; SMN2MAPK1HTT
SCHEMBL29235961 0.79 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2MAPK1HTT
SCHEMBL5138794 0.79 SLC6A3 (0.56) ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL30484626 0.75 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2MAPK1HTT
SCHEMBL6201068 0.75 ALDH1A1 (0.69) ALDH1A1TSHRSMN1; SMN2MAPK1HTT
SCHEMBL566913 0.75 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2MAPK1HTT
SCHEMBL14046498 0.73 HRH3 (0.47) ALDH1A1TSHRSMN1; SMN2MAPK1CYP3A4
SCHEMBL1980889 0.71 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2MAPK1HTT
SCHEMBL29236892 0.71 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPK1HTT

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
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed