SCHEMBL4418249

SCHEMBL4418249

CC(C)(Br)C(=O)c1ccc(Cc2ccc(C(=O)C(C)(C)Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.48
ELANE P08246 1/20 0.46
SRD5A2 P31213 3/20 0.44
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 2/20 0.41
PLK1 P53350 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CYP17A1 P05093 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL4430370 0.86 LMNA (0.46) KMT2ALMNAELANEPLA2G10PLA2G2A
SCHEMBL6687329 0.85 ALDH1A1 (0.57) LMNAPLK1ALDH1A1RXRARXRB
SCHEMBL3671949 0.85 CES2 (0.52) KMT2ALMNAHDAC6PLK1THRA
SCHEMBL480674 0.85 KMT2A (0.54) KMT2ALMNAELANESRD5A2PLA2G10
SCHEMBL7495525 0.83 IDO1 (0.41) KMT2AHDAC6PLK1THRATHRB
SCHEMBL153898 0.83 KMT2A (0.56) KMT2ALMNAELANESRD5A2PLA2G10
SCHEMBL3976359 0.82 NR1H4 (0.51) LMNASRD5A2ALDH1A1EPHX2NR1H4
SCHEMBL3974638 0.82 KMT2A (0.49) KMT2APLK1THRATHRB
SCHEMBL13175610 0.80 ALDH1A1 (0.52) PLK1ALDH1A1RXRARXRB
SCHEMBL3673193 0.80 PTGS1 (0.49) KMT2ALMNAALDH1A1ESR1

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-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed