SCHEMBL4415992

SCHEMBL4415992

CCCCC(O)(CC)C(=O)c1ccc(C(O)c2ccc(C(=O)C(O)(CC)CCCC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.35
GAA P10253 1/20 0.35
ELANE P08246 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B3 P37058 2/20 0.33
SRD5A2 P31213 1/20 0.33
HTR7 P34969 1/20 0.32
RXRA P19793 1/20 0.31
BDKRB2 P30411 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL6702050 0.88 USP5 (0.41) MLYCDGAAKMT2AL3MBTL1ALDH1A1
SCHEMBL6699980 0.83 CA2 (0.46) MLYCDGAAKMT2AL3MBTL1ALDH1A1
SCHEMBL6696379 0.81 HDAC3 (0.45) GAAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL10384322 0.81 HTR7 (0.51) MLYCDGAAALDH1A1HTR7
SCHEMBL6692640 0.81 GAA (0.48) GAAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL6697193 0.80 HDAC1 (0.50) MLYCDGAAKMT2ATDP1L3MBTL1
SCHEMBL10600658 0.80 THRA (0.38) MLYCDGAAKMT2ATDP1L3MBTL1
SCHEMBL10385989 0.79 HDAC3 (0.48) KMT2ATDP1L3MBTL1ALDH1A1HDAC8
SCHEMBL10384783 0.79 HDAC1 (0.48) GAAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL10710059 0.78 THRA (0.54) KMT2AALDH1A1MAPT

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