SCHEMBL4010068

SCHEMBL4010068

CCCC(C)c1nc(-c2ccc(Cl)cc2)nc(CC)c1OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
ADORA3 P0DMS8 2/20 0.38
MAPT P10636 3/20 0.38
F2 P00734 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
RXRA P19793 3/20 0.35
NR4A2 P43354 2/20 0.35
FFAR1 O14842 1/20 0.35
RAB9A P51151 2/20 0.34
CTRC Q99895 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4011472 0.89 MAPT (0.39) PPARGPPARAADORA3MAPTF2
SCHEMBL4005144 0.85 PPARA (0.39) PPARGPPARAADORA3MAPTF2
SCHEMBL4010066 0.83 FABP3 (0.42) PPARGPPARAADORA3MAPTF2
SCHEMBL4007862 0.81 NAMPT (0.38) PPARGPPARAADORA3MAPTF2
SCHEMBL8027046 0.80 ADORA3 (0.41) PPARGPPARAADORA3MAPTF2
SCHEMBL4007725 0.78 ADORA3 (0.39) ADORA3MAPTF2KMT2ASMN1; SMN2
SCHEMBL4010060 0.78 DPP4 (0.36) ADORA3MAPTRAB9ATSHRBCHE
SCHEMBL4008889 0.73 DHPS (0.41) PPARGPPARAADORA3MAPTSMN1; SMN2
SCHEMBL4011569 0.73 PDE4B (0.36) ADORA3MAPTF2KMT2ASMN1; SMN2
SCHEMBL4008512 0.73 MAPT (0.42) ADORA3MAPTKMT2ARAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed