SCHEMBL9138982

SCHEMBL9138982

CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OCc3ccccc3)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.47
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
BCL2L1 Q07817 6/20 0.43
MCL1 Q07820 6/20 0.43
CA5A P35218 2/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 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
SCHEMBL9139486 0.92 P4HTM (0.46) P4HTMKMT2AALDH1A1GAABCL2L1
SCHEMBL9137443 0.89 P4HTM (0.48) P4HTMKMT2AALDH1A1GAABCL2L1
SCHEMBL9137990 0.89 P4HTM (0.51) P4HTMKMT2AALDH1A1GAABCL2L1
SCHEMBL9139225 0.89 P4HTM (0.49) P4HTMKMT2AALDH1A1LMNAMEN1
SCHEMBL9140268 0.88 P4HTM (0.52) P4HTMKMT2ABCL2L1MCL1MEN1
SCHEMBL9018123 0.88 OPRM1 (0.43) P4HTMKMT2AALDH1A1HPGDBCL2L1
SCHEMBL9139789 0.87 P4HTM (0.57) P4HTMKMT2AALDH1A1HPGDCA2
SCHEMBL9138015 0.86 P4HTM (0.53) P4HTMKMT2AALDH1A1CA5ACA2
SCHEMBL9139317 0.85 P4HTM (0.55) P4HTMKMT2AALDH1A1BCL2L1MCL1
SCHEMBL9139097 0.85 BCL2L1 (0.55) P4HTMGAABCL2L1MCL1NPC1

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-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 US disclosed