SCHEMBL8987022

SCHEMBL8987022

CCOC(=O)CCCCCCCOc1nc2cc(OC)ccc2cc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
CYSLTR2 Q9NS75 2/20 0.48
CYSLTR1 Q9Y271 2/20 0.48
LTB4R Q15722 3/20 0.44
PPARG P37231 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP1 P29466 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 3/20 0.43
PDK2 Q15119 1/20 0.43
PDE5A O76074 1/20 0.42

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
SCHEMBL8987409 0.86 PPARG (0.50) LTB4RPPARGKDM4EMAPT
SCHEMBL8987461 0.83 ALDH1A1 (0.50) PTPN1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL8987362 0.81 LTB4R (0.58) PTPN1CYSLTR2CYSLTR1LTB4RNPC1
SCHEMBL4310750 0.74 HDAC3 (0.65) CYSLTR2CYSLTR1FAAH
SCHEMBL8987309 0.74 LTB4R (0.79) LTB4R
SCHEMBL8986940 0.74 LTB4R (0.75) LTB4RPDE5ATOP2A
SCHEMBL9291792 0.74 LTB4R (0.75) LTB4RPDE5ATOP2A
SCHEMBL8987489 0.74 LTB4R (0.75) LTB4RPDE5ATOP2A
SCHEMBL8986999 0.73 LTB4R (0.73) LTB4R
SCHEMBL19474670 0.72 LTA4H (0.53) CYSLTR2CYSLTR1PPARGMAPTSMN1; SMN2

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
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed