SCHEMBL6707482

SCHEMBL6707482

CCCCOc1cc(OCCCC)c(C)c(OCCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.44
CYP1A2 P05177 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
NR5A1 Q13285 1/20 0.42
PLA2G2A P14555 1/20 0.42
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP19A1 P11511 3/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
TSHR P16473 1/20 0.40
AHR P35869 1/20 0.40
ELANE P08246 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL14091969 0.92 PLA2G2A (0.51) LTA4HNR5A1PLA2G2ATSHR
SCHEMBL16575398 0.89 MAPT (0.41) LTA4HPLA2G2ACA12CA1CA2
SCHEMBL14098256 0.87 CA12 (0.39) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL18644554 0.83 NQO1 (0.40) CYP1A2CYP2C9CYP2C19
SCHEMBL19141233 0.83 CYP1A2 (0.52) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL2759077 0.81 PLA2G2A (0.55) LTA4HNR5A1PLA2G2ACYP2D6CYP3A4
SCHEMBL6291598 0.79 LTA4H (0.41) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL10717739 0.79 TSHR (0.46) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL1573623 0.78 LTA4H (0.48) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL29657323 0.78 LTA4H (0.48) LTA4HCYP1A2CYP2C9CYP2C19NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259019-A1 Positive photosensitive composition SUMITOMO CHEMICAL COMPANY, LIMITED 2004-12-23 US disclosed