SCHEMBL8630641

SCHEMBL8630641

C[C@]1(C(=O)O)Oc2ccccc2NC1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.64
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX5 P09917 5/20 0.43
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
PARP1 P09874 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 2/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CREBBP Q92793 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8630183 1.00 MAPT (0.64) MAPTNPC1POLBHSD17B10ALOX5
SCHEMBL8634643 1.00 MAPT (0.64) MAPTNPC1POLBHSD17B10ALOX5
SCHEMBL8632082 0.88 MAPT (0.53) MAPTNPC1POLBHSD17B10ALOX5
SCHEMBL8627512 0.83 MAPT (0.60) MAPTNPC1POLBHSD17B10ALOX5
SCHEMBL8631969 0.83 MAPT (0.60) MAPTNPC1POLBHSD17B10ALOX5
SCHEMBL8708041 0.83 MAPT (0.60) MAPTNPC1POLBHSD17B10ALOX5
SCHEMBL8627768 0.80 NPC1 (0.50) MAPTNPC1POLBHSD17B10KDM4E
SCHEMBL5671163 0.80 NPC1 (0.50) MAPTNPC1POLBLMNAKDM4E
SCHEMBL8631966 0.79 MAPT (0.56) MAPTNPC1POLBHSD17B10ALOX5
SCHEMBL8629003 0.78 NPC1 (0.49) MAPTNPC1POLBHSD17B10KDM4E

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 2 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