SCHEMBL9064876

SCHEMBL9064876

CC(CC(O)CCCO)C(O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14817260 0.87 THRB (0.46) THRBTDP1
SCHEMBL9832664 0.82 USP2 (0.33) PTPN1USP2CYP3A4SMN1; SMN2THRB
SCHEMBL15484241 0.82 TDP1 (0.38) PTPN1USP2CYP3A4SMN1; SMN2THRB
SCHEMBL5907087 0.82 USP2 (0.33) PTPN1USP2CYP3A4SMN1; SMN2THRB
SCHEMBL14763857 0.81 GPR84 (0.45) PTPN1
SCHEMBL14763699 0.79 GPR84 (0.48) PTPN1
SCHEMBL4650002 0.78 USP2 (0.31) PTPN1USP2CYP3A4SMN1; SMN2THRB
SCHEMBL4891692 0.78 LMNA (0.34) PTPN1
SCHEMBL3942304 0.78 PTGS1 (0.35)
SCHEMBL14763672 0.77 TSHR (0.36) CYP3A4TDP1

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
US-5510428-A Compositions, epoxized compositions, a heat curable resin composition, an epoxy resin composition, radically polymerized compositions, a curable resin composition and a polymer having epoxy groups DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-23 US disclosed