SCHEMBL10335267

SCHEMBL10335267

O=[C][C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 11/20 0.52
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HDAC3 O15379 4/20 0.41
▸ HDAC11 Q96DB2 4/20 0.41
▸ HDAC6 Q9UBN7 4/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL15067536 0.82 LMNA (0.54) MEN1KMT2ASMN1; SMN2HDAC3HDAC11
SCHEMBL2791669 0.82 LMNA (0.54) MEN1KMT2ASMN1; SMN2HDAC3HDAC11
SCHEMBL19370711 0.82 NPC1 (0.52) CTSCMEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL10335229 0.82 LMNA (0.54) MEN1KMT2ASMN1; SMN2HDAC3HDAC11
SCHEMBL8669058 0.81 POLB (0.39) MEN1KMT2ASMN1; SMN2HDAC3HDAC11
SCHEMBL19359517 0.81 TRHR (0.47) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL19359515 0.81 TRHR (0.47) HDAC3HDAC11HDAC6HDAC1HDAC2
SCHEMBL29070774 0.79 CTSC (0.80) CTSC
SCHEMBL9753650 0.79 CTSC (0.80) CTSC
SCHEMBL11488813 0.79 CTSC (0.80) CTSC

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253882-A4 ACYLATED CYANAMIDE COMPOSITION. UNIV MINNESOTA (US) 1990-06-27 — — EP claimed
US-4870056-A DETERRENTS OF ALCOHOL ABUSE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-09-26 — — US claimed
EP-0253882-A1 ACYLATED CYANAMIDE COMPOSITION THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-01-27 — — EP claimed
WO-1987004348-A1 ACYLATED CYANAMIDE COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1987-07-30 — — WO claimed
US-4940816-A Acylated cyanamide compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1990-07-10 — — US disclosed
EP-0253882-A4 ACYLATED CYANAMIDE COMPOSITION. UNIV MINNESOTA (US) 1990-06-27 — — EP disclosed
US-4870056-A DETERRENTS OF ALCOHOL ABUSE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1989-09-26 — — US disclosed
US-4726941-A Acylated cyanamide composition for treating ethanol ingestion REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-02-23 — — US disclosed
EP-0253882-A1 ACYLATED CYANAMIDE COMPOSITION THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-01-27 — — EP disclosed
WO-1987004348-A1 ACYLATED CYANAMIDE COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1987-07-30 — — WO disclosed
Send feedback