SCHEMBL7955425

SCHEMBL7955425

O=C(O)[C@@H]1CCCCN1C(=O)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 4/20 0.43
GRM5 P41594 4/20 0.43
CA2 P00918 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RBP4 P02753 1/20 0.40
RBBP9 O75884 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4925977 0.82 ALDH1A1 (0.41) L3MBTL1ALDH1A1GRM5CA2KDM4E
SCHEMBL28284252 0.82 HPGD (0.55) ALDH1A1GRM5CA2RBBP9TSHR
SCHEMBL28177282 0.77 GAA (0.49) ALDH1A1GRM5RBP4RBBP9TSHR
SCHEMBL28284253 0.77 GAA (0.49) ALDH1A1GRM5RBP4RBBP9TSHR
SCHEMBL5130274 0.74 RBP4 (0.51) ALDH1A1GRM5RBP4SMN1; SMN2
SCHEMBL7953700 0.73 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1GRM5CA2
SCHEMBL4504302 0.73 ALDH1A1 (0.50) TDP1L3MBTL1ALDH1A1GRM5CA2
SCHEMBL7960313 0.72 TDP1 (0.61) TDP1L3MBTL1ALDH1A1CA2KDM4E
SCHEMBL970704 0.72 RBP4 (0.50) ALDH1A1RBP4RBBP9SMN1; SMN2
SCHEMBL3178325 0.72 DGAT1 (0.54) TDP1L3MBTL1ALDH1A1GRM5TSHR

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-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed