SCHEMBL6801607

SCHEMBL6801607

CCCCCCCCCCCc1noc(-c2ccc(CC(N)C(=O)O)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 12/20 0.57
SPHK1 Q9NYA1 2/20 0.51
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
SPHK2 Q9NRA0 1/20 0.45

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
SCHEMBL6423837 0.80 SPHK1 (0.65) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL1855354 0.80 ALDH1A1 (0.54) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL1313099 0.80 ALDH1A1 (0.54) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL12117878 0.80 NPC1 (0.54) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL6805184 0.80 ALDH1A1 (0.54) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL6918608 0.78 CHRM2 (0.42) TPH1SPHK1KDM4ENPC1ALDH1A1
SCHEMBL28381546 0.78 S1PR2 (0.60) SPHK1KDM4EALDH1A1MAPTPKM
SCHEMBL6805181 0.77 MAPT (0.54) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL6715534 0.77 MAPT (0.54) SPHK1KDM4ENPC1ALDH1A1MAPT
SCHEMBL11338689 0.77 ALDH1A1 (0.56) SPHK1KDM4ENPC1ALDH1A1MAPT

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