SCHEMBL9853952

SCHEMBL9853952

O=C(O)c1cccc(OCCCCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.69
KMT2A Q03164 1/20 0.65
NR1H4 Q96RI1 2/20 0.64
PLA2G4B P0C869 3/20 0.62
LPAR1 Q92633 1/20 0.61
FFAR1 O14842 1/20 0.57
MRGPRX4 Q96LA9 1/20 0.57
SRD5A2 P31213 1/20 0.57
AKR1C3 P42330 1/20 0.56

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
SCHEMBL9853997 0.97 NR4A2 (0.69) NR4A2KMT2ANR1H4PLA2G4BLPAR1
SCHEMBL3510712 0.94 NR4A2 (0.62) NR4A2KMT2ANR1H4PLA2G4BLPAR1
SCHEMBL30869931 0.92 NR4A2 (0.71) NR4A2KMT2ANR1H4PLA2G4BLPAR1
SCHEMBL1168167 0.92 NR4A2 (0.71) NR4A2KMT2ANR1H4PLA2G4BLPAR1
SCHEMBL204344 0.90 NR4A2 (0.56) NR4A2KMT2ANR1H4LPAR1FFAR1
SCHEMBL14383507 0.89 DRD2 (0.62) NR4A2KMT2ANR1H4LPAR1
SCHEMBL14383942 0.89 DRD2 (0.67) NR4A2KMT2ANR1H4LPAR1
SCHEMBL204302 0.88 FAAH (0.58) NR4A2KMT2ANR1H4PLA2G4BFFAR1
SCHEMBL202127 0.88 FAAH (0.58) NR4A2KMT2ANR1H4PLA2G4BFFAR1
SCHEMBL9803295 0.88 KMT2A (0.80) NR4A2KMT2ANR1H4PLA2G4BAKR1C3

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
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed