SCHEMBL8961749

SCHEMBL8961749

CCN(CC)C(C)(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)c1ccc(SC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 6/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 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
SCHEMBL8897425 0.88 KMT2A (0.41) ALDH1A1HPGDTAS2R14EPHX2NR1H4
SCHEMBL8898468 0.82 KMT2A (0.45) ALDH1A1TAS2R14EPHX2NR1H4MEN1
SCHEMBL8898243 0.78 EPHX2 (0.46) ALDH1A1TAS2R14EPHX2NR1H4MEN1
SCHEMBL3322033 0.78 HPGD (0.47) ALDH1A1HPGDPPARGPPARARAB9A
SCHEMBL8898365 0.76 EPHX2 (0.42) ALDH1A1HPGDTAS2R14EPHX2NR1H4
SCHEMBL8897900 0.75 HPGD (0.47) ALDH1A1HPGDPPARGPPARARAB9A
SCHEMBL2149065 0.74 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL726032 0.73 ALDH1A1 (0.47) ALDH1A1HPGDEPHX2NR1H4MEN1
SCHEMBL10943108 0.73 ALDH1A1 (0.56) ALDH1A1HPGDMEN1KMT2APPARG
SCHEMBL8897095 0.73 AKR1C3 (0.42) ALDH1A1HPGDEPHX2NR1H4MEN1

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-5554663-A α-aminoacetophenones as photoinitiators CIBA-GEIGY CORPORATION (US) 1996-09-10 US disclosed