SCHEMBL16348331

SCHEMBL16348331

COCc1coc(-c2cc(Cl)ccc2O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.39
EPHX2 P34913 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
IDO1 P14902 5/20 0.38
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
CDK9 P50750 1/20 0.36
RAB9A P51151 1/20 0.36
CDK5 Q00535 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CDK5R1 Q15078 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL16348400 0.87 KDM4E (0.38) EPHX2DRD2DRD4DRD3IDO1
SCHEMBL16348343 0.83 PTPN11 (0.48) EPHX2DRD2DRD4DRD3IDO1
SCHEMBL16348378 0.83 P2RX7 (0.42) EPHX2DRD2DRD4DRD3IDO1
SCHEMBL5116066 0.78 CA2 (0.44) EPHX2DRD2DRD4DRD3FFAR1
SCHEMBL14098695 0.78 MAPT (0.45) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL16348379 0.77 EPHX2 (0.44) EPHX2IDO1KDM4ELMNANPC1
SCHEMBL16348391 0.74 PPARG (0.48) DRD2DRD4DRD3FFAR1CASP3
SCHEMBL16348390 0.74 PPARA (0.49) DRD2DRD4DRD3FFAR1KDM4E
SCHEMBL4723595 0.69 PTGDR2 (0.47) DRD2DRD4DRD3KDM4ENPC1
SCHEMBL16348347 0.68 DRD2 (0.56) DRD2DRD4DRD3IDO1KDM4E

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed