SCHEMBL11636746

SCHEMBL11636746

N#CCc1ccc2oc(-c3cccs3)cc(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
LMNA P02545 1/20 0.62
CASP3 P42574 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
PTPRS Q13332 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
QPCT Q16769 1/20 0.45
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 2/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G4A P47712 1/20 0.38
TNKS O95271 3/20 0.37
FLT3 P36888 1/20 0.36
MAPT P10636 3/20 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
SCHEMBL11636109 0.84 NPC1 (0.66) ALDH1A1NPC1RAB9ALMNACASP3
SCHEMBL11636671 0.81 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ALMNACASP3
SCHEMBL11639561 0.78 PTPRS (0.48) ALDH1A1NPC1RAB9ALMNACASP3
SCHEMBL11637749 0.78 KDM4E (0.65) ALDH1A1NPC1RAB9ALMNAPTPRS
SCHEMBL11634284 0.77 GABRP (0.50) ALDH1A1NPC1RAB9ALMNASIGMAR1
SCHEMBL9391119 0.76 NPC1 (0.69) ALDH1A1NPC1RAB9ALMNACASP3
SCHEMBL11637174 0.75 GABRP (0.66) NPC1RAB9ALMNACASP3SENP7
SCHEMBL11637081 0.75 CSNK2A2 (0.60) ALDH1A1NPC1RAB9ALMNACASP3
SCHEMBL11633630 0.75 TNKS (0.57) ALDH1A1NPC1RAB9ALMNACASP3
SCHEMBL11635892 0.75 GABRP (0.68) ALDH1A1CYP1A1CYP1A2CYP1B1KDM4E

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-4122200-A 6',2-(2'Arylchromonyl) propionic acids, and analgesic and anti-inflammatory derivatives thereof LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1978-10-24 US disclosed
US-4097582-A 6',2-(2'-Arylchromonyl) propionic acids, and analgesic and anti-inflammatory derivatives thereof LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1978-06-27 US disclosed