SCHEMBL9856992

SCHEMBL9856992

O=C(O)CC(S)N1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
TSHR P16473 1/20 0.37
KMT2A Q03164 3/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36

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
SCHEMBL23758301 0.76 LMNA (0.56) LMNACA12CA1CA2CA3
SCHEMBL9682712 0.75 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL3487387 0.73 KMT2A (0.44) TSHRKMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL9575027 0.72 KMT2A (0.48) LMNACA12CA1CA2CA3
SCHEMBL11353115 0.69 LMNA (0.49) LMNACA12CA1CA2CA3
SCHEMBL7513808 0.69 LMNA (0.53) LMNACA12CA1CA2CA3
SCHEMBL9452118 0.69 DPP7 (0.38) LMNATDP1SMN1; SMN2
SCHEMBL20690179 0.69
SCHEMBL2639213 0.69
SCHEMBL10959845 0.68 LMNA (0.51) LMNACA12CA1CA2CA3

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-5055521-A A copolymer of an n-vinyl-2-pyrrolidone or methyl (meth)acry late telomer and an oligomer of a unsaturated monomer, a polyc ondensable monomer or a lactam ATOCHEM (FR) 1991-10-08 US disclosed