SCHEMBL11202154

SCHEMBL11202154

O=C(C=CC(=O)N1CSC[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ACE P12821 2/20 0.39
RECQL P46063 2/20 0.38
PLIN1 O60240 2/20 0.38
PLIN5 Q00G26 2/20 0.38
ABHD5 Q8WTS1 2/20 0.38
BCHE P06276 1/20 0.38
TNFRSF1A P19438 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PREP P48147 4/20 0.38
ALDH1A1 P00352 4/20 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
SCHEMBL11202153 1.00 LMNA (0.40) LMNAMAPTNPC1RAB9ACASP3
SCHEMBL11199256 0.86 GPR52 (0.42) RELASMN1; SMN2
SCHEMBL11199259 0.86 GPR52 (0.42) RELASMN1; SMN2
SCHEMBL10481511 0.86 NPSR1 (0.51) LMNAMAPTNPC1RAB9ACASP3
SCHEMBL10518172 0.82 MEN1 (0.47) LMNAMAPTNPC1RAB9ARECQL
SCHEMBL10518177 0.82 MEN1 (0.47) LMNAMAPTNPC1RAB9ARECQL
SCHEMBL10518184 0.82 MEN1 (0.47) LMNAMAPTNPC1RAB9ARECQL
SCHEMBL3750871 0.79 ACE (0.44) LMNAACERECQLPREPALDH1A1
SCHEMBL10340335 0.79 ACE (0.44) LMNAACERECQLPREPALDH1A1
SCHEMBL10481515 0.76 ALDH1A1 (0.52) ACEALDH1A1SMN1; SMN2

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-4374249-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-02-15 US disclosed