SCHEMBL4459814

SCHEMBL4459814

CCOP(=O)(O)C(=O)C(=O)CC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
PPARD Q03181 2/20 0.41
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SOAT1 P35610 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 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
SCHEMBL4462228 0.82 LPAR3 (0.38) CYP3A4
SCHEMBL4453648 0.78 LMNA (0.32) TDP1CA12CA1CA2CA9
SCHEMBL4453622 0.78 TSHR (0.43) TSHRPPARDTP53TDP1CA12
SCHEMBL6060025 0.78 PPARD (0.48) TSHRPPARDTP53TDP1CA12
SCHEMBL4486615 0.75
SCHEMBL13986850 0.75
SCHEMBL4454066 0.74 INPP5A (0.33) MMP1MMP2
Fosamine SCHEMBL8535758 0.73 TSHR (0.43) TSHRPPARDTP53TDP1CA12
SCHEMBL10889980 0.73 TSHR (0.43) TSHRPPARDTP53TDP1CA12
Fosamine SCHEMBL64451 0.73

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