SCHEMBL5707633

SCHEMBL5707633

CC(=O)N1CCC(C(O)=S)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ RIPK1 Q13546 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ QDPR P09417 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL12036175 0.86 CYP1A2 (0.46) EPHX2EPHX1CYP1A2TDP1CA12
SCHEMBL191353 0.82 LMNA (0.55) EPHX2EPHX1CYP1A2TDP1LMNA
SCHEMBL8947886 0.82 LMNA (0.55) EPHX2EPHX1CYP1A2TDP1LMNA
SCHEMBL12036169 0.81 EPHX2 (0.42) EPHX2EPHX1CYP1A2TDP1CA12
Hydrochloric Acid SCHEMBL1835887 0.80 LMNA (0.53) EPHX2EPHX1CYP1A2TDP1LMNA
SCHEMBL190928 0.79 CYP1A2 (0.48) EPHX2EPHX1CYP1A2TDP1RIPK1
SCHEMBL18214970 0.78 EPHX2 (0.43) EPHX2EPHX1CYP1A2TDP1RIPK1
SCHEMBL28435105 0.78 CA12 (0.41) TDP1CA12CA1CA2CA9
SCHEMBL18711893 0.77 CYP1A2 (0.46) EPHX2EPHX1CYP1A2TDP1RIPK1
SCHEMBL11850495 0.77 CYP1A2 (0.50) EPHX2EPHX1CYP1A2TDP1KDM4E

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
EP-1020439-B1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC (JP) 2006-08-30 — — EP claimed
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