SCHEMBL9713399

SCHEMBL9713399

CCOC(=O)CCCCCc1ccccc1N

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.69
CYP4A11 Q02928 2/20 0.69
CYP1A2 P05177 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
TBXAS1 P24557 1/20 0.46
ALOX5 P09917 1/20 0.45
CYP4Z1 Q86W10 1/20 0.43
DHFR P00374 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 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
SCHEMBL11404769 1.00 CYP4F2 (0.69) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL27567553 0.98 CYP4F2 (0.71) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL4270902 0.94 CYP4F2 (0.64) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL11075331 0.88 CYP4F2 (0.69) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL11263678 0.86 CYP4F2 (0.67) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL27697736 0.85 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL26800711 0.83 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1HSD17B10TSHR
SCHEMBL5753531 0.83 CYP4F2 (0.75) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL12179901 0.82 CYP4F2 (0.69) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL11911407 0.82 CYP4F2 (0.69) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed