SCHEMBL8176384

SCHEMBL8176384

CCC(Cc1ccccc1)(C(=O)c1ccc(SCCCS)cc1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 2/20 0.38
PLA2G2A P14555 1/20 0.36
PLA2G4B P0C869 2/20 0.36
PLA2G4A P47712 1/20 0.36
PLK1 P53350 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HDAC1 Q13547 2/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.34
FDPS P14324 1/20 0.34
MLYCD O95822 1/20 0.33
EGFR P00533 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL8175445 0.97 THRA (0.38) THRATHRBKMT2APLA2G2APLA2G4B
SCHEMBL8898371 0.89 THRB (0.50) THRATHRBKMT2APLA2G2APLA2G4B
SCHEMBL8898813 0.87 HDAC1 (0.37) THRATHRBKMT2APLA2G2APLA2G4B
SCHEMBL8897532 0.86 THRB (0.45) THRATHRBKMT2APLA2G2APLA2G4B
SCHEMBL8898167 0.85 ALDH1A1 (0.38) KMT2APLA2G2APLA2G4BPLA2G4APLK1
SCHEMBL6026254 0.84 KMT2A (0.40) THRATHRBKMT2APLA2G2APLA2G4B
SCHEMBL8897938 0.82 TAS2R14 (0.43) KMT2AALDH1A1RAB9ANPC1MLYCD
Benzene SCHEMBL28672020 0.80 RIPK1 (0.43) KMT2ARAB9ANPC1MLYCDCYP1A2
SCHEMBL4650526 0.80 RIPK1 (0.43) KMT2ARAB9ANPC1MLYCDCYP1A2
SCHEMBL14394625 0.80 THRB (0.37) THRATHRBKMT2APLA2G2APLA2G4B

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-6022906-A α-aminoacetophenone photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-08 US disclosed