SCHEMBL4462232

SCHEMBL4462232

CCCOP(=O)(OCCC)C(O)CCCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
LPAR5 Q9H1C0 1/20 0.36
GAA P10253 1/20 0.35
CYP3A4 P08684 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
HMGCR P04035 1/20 0.32
PPARD Q03181 1/20 0.31
FDPS P14324 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMPD1 P17405 3/20 0.31
USP2 O75604 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4459817 0.85 PPARD (0.42) PTPN1GAACYP3A4L3MBTL1PPARD
SCHEMBL4459740 0.81 CYP3A4 (0.47) PTPN1LPAR5GAACYP3A4L3MBTL1
SCHEMBL4457979 0.80 LPAR5 (0.36) LPAR5GAACYP3A4LPAR3LPAR1
SCHEMBL27288704 0.79 LPAR3 (0.45) PTPN1LPAR5LPAR3LPAR1LPAR2
SCHEMBL4453650 0.76 LMNA (0.39) PTPN1PPARD
SCHEMBL4449824 0.73 LPAR5 (0.39) LPAR5GAACYP3A4LPAR3LPAR1
SCHEMBL4454776 0.73 CYP3A4 (0.50) LPAR5GAACYP3A4L3MBTL1LPAR3
SCHEMBL9492034 0.73 FDPS (0.45) CYP3A4L3MBTL1LPAR3LPAR1LPAR2
SCHEMBL14010320 0.73 PTPN1 (0.34) PTPN1GAALPAR3LPAR1LPAR2
SCHEMBL4453625 0.72 PPARD (0.45) GAACYP3A4L3MBTL1HMGCRPPARD

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-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed