SCHEMBL6568411

SCHEMBL6568411

O=C(O)c1ccc(C(=O)O)c2c1CCCCO2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
FABP4 P15090 4/20 0.37
XDH P47989 4/20 0.36
SLC22A12 Q96S37 1/20 0.36
GFER P55789 1/20 0.36
CYP1A2 P05177 1/20 0.35
FABP3 P05413 1/20 0.35
PARP1 P09874 1/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL11125642 0.88 XDH (0.40) SMN1; SMN2FABP4XDHSLC22A12GFER
SCHEMBL134045 0.87 XDH (0.44) SMN1; SMN2XDHSLC22A12CYP1A2PARP1
SCHEMBL7334483 0.87 ALDH1A1 (0.37) SMN1; SMN2FABP4XDHSLC22A12GFER
SCHEMBL7391414 0.83 RXRA (0.39) SMN1; SMN2FABP4XDHSLC22A12HSD17B10
SCHEMBL9868328 0.81 SMN1; SMN2 (0.45) SMN1; SMN2XDHSLC22A12GFERCYP1A2
SCHEMBL7387063 0.81 ALDH1A1 (0.41) SMN1; SMN2FABP4XDHSLC22A12HSD17B10
Tetrahydrofuran SCHEMBL6862263 0.79 CYP1A2 (0.44) FABP4XDHGFERCYP1A2FABP3
SCHEMBL4566491 0.79 CYP1A2 (0.48) SMN1; SMN2FABP4XDHGFERCYP1A2
SCHEMBL87519 0.78 CYP1A2 (0.57) SMN1; SMN2FABP4XDHGFERCYP1A2
SCHEMBL20558555 0.78 ALDH1A1 (0.54) SMN1; SMN2FABP4HSD17B10KDM4ECA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218183-B1 INFORMATION-CARRYING MOULDED PART DSM IP ASSETS BV (NL) 2004-04-07 EP claimed
US-6673423-B2 Information-carrying moulded part DSM N.V. (NL) 2004-01-06 US claimed
US-20020146549-A1 Information-carrying moulded part DSM IP ASSETS B.V. (NL) 2002-10-10 US claimed
EP-1218183-A1 INFORMATION-CARRYING MOULDED PART DSM N.V. (NL) 2002-07-03 EP claimed
WO-2001019612-A1 INFORMATION-CARRYING MOULDED PART DSM N.V. (NL) 2001-03-22 WO claimed
US-4426420-A POLYESTERETHER FROM POLYOXYBUTYLENE GLYCOL, TEREPHTHALIC ACID, BUTYLENE GLYCOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-01-17 US claimed
US-4426420-A POLYESTERETHER FROM POLYOXYBUTYLENE GLYCOL, TEREPHTHALIC ACID, BUTYLENE GLYCOL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-01-17 US disclosed