SCHEMBL4782648

SCHEMBL4782648

CCCCCc1ocnc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.41
HCAR3 P49019 1/20 0.41
RARB P10826 6/20 0.40
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NFKB1 P19838 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 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
SCHEMBL11001539 0.82 FBP1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1760311 0.82 ADORA2A (0.36) HCAR2ALDH1A1NFKB1NPC1RAB9A
SCHEMBL8882444 0.80 FBP1 (0.42) PPARAALDH1A1MAPTKDM4ELMNA
SCHEMBL15000448 0.79 PLA2G4A (0.36) HCAR2HCAR3RARBPPARAALDH1A1
SCHEMBL28119464 0.77 THRA (0.34) HCAR2HCAR3ALDH1A1NFKB1MEN1
SCHEMBL7835691 0.72 CDC25A (0.45) PPARAALDH1A1MEN1KMT2ATDP1
SCHEMBL3281297 0.72 TDP1 (0.36) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL4806017 0.71 FBP1 (0.43) HCAR2HCAR3RARBALDH1A1
SCHEMBL13361150 0.71 KCNH2 (0.38) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1082565 0.70 HCAR2 (0.41) HCAR2HCAR3RARBALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed
US-4535089-A Alkyloxazolylacetic acid derivative for the treatment of hyperlipidemia TANABE SEIYAKU CO., LTD. (JP) 1985-08-13 US disclosed
EP-0094612-A2 Novel alkyloxazolylacetic acid derivative, processes for preparation and pharmaceutical compositions containing same Tanabe Seiyaku Co., Ltd. (JP) 1983-11-23 EP disclosed