SCHEMBL6719243

SCHEMBL6719243

CCCCCCCCCCCc1noc(-c2cccc(CNCc3ccc(C(F)(F)F)cc3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.43
SPHK2 Q9NRA0 2/20 0.43
ALDH1A1 P00352 2/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRL1 P41146 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
Hydrochloric Acid SCHEMBL1856212 0.99 SPHK1 (0.44) SPHK1SPHK2ALDH1A1PPARGPPARD
SCHEMBL1854299 0.93 SPHK1 (0.43) SPHK1SPHK2ALDH1A1PPARGPPARD
SCHEMBL1857980 0.90 SPHK1 (0.47) SPHK1SPHK2ALDH1A1PPARGPPARD
SCHEMBL1857829 0.90 SPHK1 (0.47) SPHK1SPHK2ALDH1A1PPARGPPARD
SCHEMBL6725380 0.90 SPHK1 (0.51) SPHK1SPHK2ALDH1A1PPARGPPARD
SCHEMBL1855183 0.90 SPHK1 (0.51) SPHK1SPHK2ALDH1A1PPARGPPARD
Hydrochloric Acid SCHEMBL1855130 0.89 SPHK1 (0.50) SPHK1SPHK2ALDH1A1PPARGPPARD
SCHEMBL1854919 0.86 SPHK1 (0.42) SPHK1SPHK2ALDH1A1PPARGPPARD
SCHEMBL1858451 0.86 SPHK1 (0.41) SPHK1SPHK2ALDH1A1NPC1RAB9A
SCHEMBL1856445 0.86 ALDH1A1 (0.53) SPHK1SPHK2ALDH1A1NPC1RAB9A

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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed