SCHEMBL4421841

SCHEMBL4421841

CN(C)C(C)(C)C(=O)c1ccc(C(O)c2ccc(C(=O)C(C)(C)N(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SRD5A2 P31213 1/20 0.38
RXRA P19793 1/20 0.36
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MLYCD O95822 5/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAPT P10636 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ATM Q13315 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
SCHEMBL57807 0.85 CYP2C9 (0.44) ALDH1A1TSHRHSD17B10RXRAHPGD
SCHEMBL4427237 0.84 CHRNA7 (0.44) ALDH1A1TSHRHSD17B10CA2HPGD
SCHEMBL4425679 0.81 ALDH1A1 (0.34) ELANEALDH1A1TSHRHSD17B10MLYCD
SCHEMBL10945414 0.80 HPGD (0.50) ELANEALDH1A1SRD5A2HPGDMAPT
SCHEMBL10947494 0.80 CES2 (0.44) ALDH1A1HPGDMLYCDCES2CES1
SCHEMBL58267 0.79 CA2 (0.50) ALDH1A1SRD5A2CA2HPGDCES2
SCHEMBL480335 0.79 ELANE (0.47) ELANEALDH1A1TSHRHSD17B10SRD5A2
SCHEMBL4427238 0.77 MLYCD (0.38) ELANETSHRHPGDMLYCD
SCHEMBL10384794 0.77 CES2 (0.46) ELANEALDH1A1TSHRSRD5A2CA2
SCHEMBL10384774 0.77 CES2 (0.46) CA2CA1CES2CES1MAPT

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 4 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
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