SCHEMBL8775498

SCHEMBL8775498

CCCCOc1[c]c(C)cc(OCCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
LTA4H P09960 4/20 0.39
NR5A1 Q13285 1/20 0.38
PLA2G2A P14555 1/20 0.38
CYP1A2 P05177 5/20 0.37
CYP19A1 P11511 5/20 0.37
CYP2C9 P11712 5/20 0.37
CYP2C19 P33261 5/20 0.37
CYP2D6 P10635 5/20 0.37
CYP3A4 P08684 3/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 1/20 0.36
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL7225623 0.88 LTA4H (0.44) AHRLTA4HNR5A1PLA2G2ACYP1A2
SCHEMBL7689289 0.82 PLA2G2A (0.49) AHRLTA4HNR5A1PLA2G2ATSHR
SCHEMBL7225529 0.81 PLA2G2A (0.51) LTA4HNR5A1PLA2G2ACYP3A4TSHR
SCHEMBL1664174 0.81 PLA2G2A (0.51) LTA4HNR5A1PLA2G2ATSHR
SCHEMBL20819718 0.81 PLA2G2A (0.51) LTA4HNR5A1PLA2G2ATSHR
SCHEMBL2094448 0.81 PLA2G2A (0.51) LTA4HNR5A1PLA2G2ATSHR
SCHEMBL1451296 0.81 PLA2G2A (0.51) LTA4HNR5A1PLA2G2ATSHR
SCHEMBL1664942 0.81 PLA2G2A (0.51) LTA4HNR5A1PLA2G2ATSHR
SCHEMBL8775502 0.80 NQO1 (0.42) AHRLTA4HCYP3A4TSHR
SCHEMBL28826013 0.78 LTA4H (0.39) LTA4HPLA2G2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560724-B1 Benzoyl substituted phosphabicycloalcanes and their sulphides as photoinitiators CIBA GEIGY AG (CH) 1997-09-24 EP disclosed
US-5399782-A Addition polymerization, paints CIBA-GEIGY CORPORATION (US) 1995-03-21 US disclosed
EP-0560724-A1 Benzoyl substituted phosphabicycloalcanes and their sulphides as photoinitiators CIBA-GEIGY AG (CH) 1993-09-15 EP disclosed