SCHEMBL8028273

SCHEMBL8028273

C=C(C)C(=O)OCCCCSc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
POLB P06746 2/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 8/20 0.50
TSHR P16473 3/20 0.50
PTGS2 P35354 1/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL285646 0.98 TDP1 (0.55) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL8028295 0.98 TDP1 (0.55) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL28322573 0.93 TSHR (0.51) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL2392778 0.89 MTNR1A (0.50) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL3920674 0.84 PTGS2 (0.62) TDP1POLBALDH1A1PTGS2HDAC1
SCHEMBL7529588 0.84 THRB (0.50) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL9317341 0.80 POLB (0.41) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL9317052 0.80 POLB (0.41) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL9317054 0.80 POLB (0.41) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL4577427 0.80 TDP1 (0.73) TDP1POLBAPEX1HTTTSHR

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
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO disclosed