SCHEMBL9713209

SCHEMBL9713209

COc1cc(OCCCCc2ccccc2)ccc1C[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
S1PR1 P21453 1/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
F2 P00734 1/20 0.42
ELANE P08246 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
SCHEMBL4604837 0.78 L3MBTL1 (0.44) TDP1L3MBTL1
SCHEMBL15121919 0.77 FFAR1 (0.57) TDP1L3MBTL1S1PR1
Hydrochloric Acid SCHEMBL9713561 0.77 KDM4E (0.46) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL4657637 0.77 FFAR1 (0.62) S1PR1F2ELANE
SCHEMBL13432593 0.73 KDM4E (0.42) KDM4EALDH1A1MAPT
SCHEMBL16715459 0.72 MAPT (0.48) KDM4EALDH1A1MAPTL3MBTL1S1PR1
SCHEMBL9076062 0.71 FFAR1 (0.52) KDM4EALDH1A1TDP1S1PR1
SCHEMBL13443150 0.70 CHRM2 (0.52) ALDH1A1MAPTL3MBTL1
SCHEMBL19612474 0.70 CYP11B1 (0.56) MAOAMAOB
SCHEMBL13052431 0.70 HSD17B10 (0.51) KDM4E

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 4 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-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