SCHEMBL5040854

SCHEMBL5040854

CCCCCCCCOCCOc1ccc(C(=O)C(C)(C)OCCCCCCCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
PLA2G4B P0C869 6/20 0.55
PLA2G4A P47712 1/20 0.50
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47

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
SCHEMBL5044021 0.93 TP53 (0.63) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL5044698 0.93 TP53 (0.63) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL5047372 0.93 TP53 (0.63) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL5039654 0.87 RARB (0.59) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL5047452 0.87 RARB (0.59) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL11927401 0.82 APP (0.46) RARBTHRAMEN1USP2ALDH1A1
SCHEMBL10358713 0.81 TP53 (0.85) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7836467 0.81 TP53 (0.85) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL10785291 0.81 TP53 (0.85) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7733877 0.81 GAA (0.73) RARBTP53TSHRPLA2G4BPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341823-B1 SURFACE-ACTIVE PHOTOINITIATORS CIBA HOLDING INC (CH) 2008-10-01 EP disclosed
US-7001644-B2 Surface-active photoinitiators CIBA SPECIALTY CHEMICALS CORP. (US) 2006-02-21 US disclosed
US-20040034115-A1 Surface-active photoinitiators IGM GROUP B.V. (NL) 2004-02-19 US disclosed
EP-1341823-A1 SURFACE-ACTIVE PHOTOINITIATORS Ciba SC Holding AG (CH) 2003-09-10 EP disclosed
WO-2002048202-A1 SURFACE-ACTIVE PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO disclosed