SCHEMBL28083754

SCHEMBL28083754

CCO[PH](Oc1ccccc1)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.39
CA4 P22748 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNA4 P43681 2/20 0.32
RELA Q04206 1/20 0.32
KCNA3 P22001 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAOA P21397 1/20 0.32
PTGS1 P23219 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 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
SCHEMBL28317466 0.96 LTA4H (0.39) LTA4HCA4CHRNB2CHRNB4CHRNA3
SCHEMBL367891 0.85 LTA4H (0.37) LTA4HCA4TP53RELATSHR
SCHEMBL28318504 0.85 LTA4H (0.39) LTA4HCA4TAAR1CHRNB2CHRNB4
SCHEMBL28245263 0.82 LTA4H (0.44) LTA4HCYP3A4KCNA3TSHRMAOA
SCHEMBL28318551 0.82 LTA4H (0.49) LTA4HCYP3A4KCNA3TSHRL3MBTL1
SCHEMBL28790285 0.81 LTA4H (0.39) LTA4HCA4CHRNB2CHRNB4CHRNA3
SCHEMBL7774760 0.80 LTA4H (0.43) LTA4HCA4TAAR1KCNA3TSHR
SCHEMBL28117420 0.79 LTA4H (0.33) LTA4HCA4TP53RELATSHR
SCHEMBL8775970 0.79 LTA4H (0.47) LTA4HCYP3A4KCNA3TSHRMAOA
SCHEMBL456394 0.79 LTA4H (0.47) LTA4HCYP3A4KCNA3TSHRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110168065-A Low viscosity lubricating oil composition for turbomachinery 埃克森美孚研究工程公司 2019-08-23 CN disclosed
CN-106133109-A Heat circulating system compositions and heat circulating system 旭硝子株式会社 2016-11-16 CN disclosed