SCHEMBL9023399

SCHEMBL9023399

Cc1cc2c(OCc3ccccc3)cccc2[nH]1.c1ccc(COc2cccc3cc[nH]c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.51
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
HTR1A P08908 2/20 0.42
SLC6A2 P23975 2/20 0.42
DRD3 P35462 2/20 0.42
ABCB11 O95342 1/20 0.42
ADRA2A P08913 1/20 0.42
PTGS1 P23219 1/20 0.42
OPRM1 P35372 1/20 0.42
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
HTR2A P28223 2/20 0.40
DRD2 P14416 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40

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
SCHEMBL31530782 0.87 SRD5A2 (0.64) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL1013895 0.87 SRD5A2 (0.64) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL837602 0.83 L3MBTL1 (0.51) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL16632761 0.79 SRD5A2 (0.55) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL7054784 0.76 MAPT (0.56) SRD5A2MAPTMAPK1TDP1L3MBTL1
Indole SCHEMBL28308979 0.74 DRD4 (0.56) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL3207672 0.72 SRD5A2 (0.56) SRD5A2MAPTMAPK1L3MBTL1HTR1A
SCHEMBL29415608 0.72 DRD4 (0.63) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL746079 0.72 DRD4 (0.63) SRD5A2MAPTMAPK1TDP1L3MBTL1
SCHEMBL5768529 0.71 SRD5A2 (0.61) SRD5A2MAPTMAPK1TDP1L3MBTL1

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-0548250-B1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1996-03-27 EP disclosed