SCHEMBL4457979

SCHEMBL4457979

CCCOP(=O)(OCCC)C(O)CO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 1/20 0.36
HMGCR P04035 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
PPARD Q03181 1/20 0.31
LMNA P02545 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
SCHEMBL4454776 0.88 CYP3A4 (0.50) LPAR5GAAMEN1KMT2AUSP2
SCHEMBL4462232 0.80 PTPN1 (0.41) LPAR5HMGCRGAAMEN1KMT2A
SCHEMBL27585706 0.80 LPAR3 (0.50) LPAR5GAAUSP2LPAR3LPAR1
SCHEMBL4449824 0.79 LPAR5 (0.39) LPAR5HMGCRGAAMEN1KMT2A
SCHEMBL8961431 0.75 HMGCR (0.36) LPAR5HMGCRGAAMEN1KMT2A
SCHEMBL31522308 0.75 FDPS (0.45) LPAR5HMGCRMEN1KMT2ALPAR3
E968 SCHEMBL28898598 0.74 CYP3A4 (0.48) LPAR5MEN1KMT2AUSP2LPAR3
Alcohol SCHEMBL28898597 0.74 CYP3A4 (0.59) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL11687397 0.72 CYP3A4 (0.52) LPAR5GAAMEN1KMT2ALPAR3
SCHEMBL4459740 0.72 CYP3A4 (0.47) LPAR5GAAMEN1KMT2ALPAR3

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