SCHEMBL4453622

SCHEMBL4453622

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

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PPARD Q03181 2/20 0.43
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR2 Q9HBW0 1/20 0.32

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
SCHEMBL13986850 0.82
SCHEMBL4459814 0.78 TSHR (0.42) TSHRPPARDTP53TDP1CA12
SCHEMBL4459738 0.78 CYP3A4 (0.52) TSHRALDH1A1LMNALPAR1LPAR3
SCHEMBL8346052 0.77
SCHEMBL4486615 0.77
Fosamine SCHEMBL8535758 0.75 TSHR (0.43) TSHRPPARDTP53TDP1CA12
Fosamine SCHEMBL64451 0.75
SCHEMBL10889980 0.75 TSHR (0.43) TSHRPPARDTP53TDP1CA12
SCHEMBL6060025 0.75 PPARD (0.48) TSHRPPARDTP53TDP1CA12
SCHEMBL428747 0.74 PPARD (0.35) TSHRPPARDTP53TDP1CA12

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