SCHEMBL8629003

SCHEMBL8629003

CC1(C(=O)O)Oc2ccc(Cl)cc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HCAR2 Q8TDS4 2/20 0.40
IDO1 P14902 2/20 0.40
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HCAR3 P49019 1/20 0.37
HTR6 P50406 2/20 0.37
TP53 P04637 1/20 0.37
TRPV1 Q8NER1 1/20 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
SCHEMBL8627768 0.84 NPC1 (0.50) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3355655 0.81 TRPV1 (0.49) MAPTSMN1; SMN2KDM4EALDH1A1IDO1
SCHEMBL8256073 0.80 KDM4E (0.55) NPC1SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL8634618 0.79 NPC1 (0.46) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8630641 0.78 MAPT (0.64) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8630183 0.78 MAPT (0.64) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8634643 0.78 MAPT (0.64) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL5671163 0.75 NPC1 (0.50) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL21966133 0.74 AHR (0.39) IDO1
SCHEMBL3356505 0.72 MAPK1 (0.35) HCAR2HSD17B10TP53TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824652-A IMMUNOSTIMULANTS, ANTITUMOR AGENTS UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TECHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) 1998-10-20 US disclosed
EP-0695308-B1 NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIV LJUBLJANI (SI) 1998-07-01 EP disclosed
EP-0695308-A1 NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) 1996-02-07 EP disclosed
WO-1994024152-A1 NOVEL HETEROCYCLIC ACYLDIPEPTIDES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIVERZA V LJUBLJANI, FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, ODDELEK ZA FARMACIJO (SI) 1994-10-27 WO disclosed