SCHEMBL9836592

SCHEMBL9836592

CCCCN(Oc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.47
LTA4H P09960 4/20 0.40
NR5A1 Q13285 1/20 0.40
ESR2 Q92731 1/20 0.39
NR1H2 P55055 2/20 0.39
BAX Q07812 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
NR1I2 O75469 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 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
SCHEMBL11637819 0.82 NPC1 (0.45) ESR1LTA4HLMNADRD2DRD3
SCHEMBL1045799 0.78 TP53 (0.38) ESR1LTA4HALDH1A1BCHE
SCHEMBL6883552 0.75 ESR1 (0.56) ESR1ESR2NR1H2LMNADRD2
SCHEMBL11637359 0.71 TDP1 (0.42) ESR1LTA4HMAPTDRD3OPRM1
Phenol SCHEMBL5874877 0.70 DRD2 (0.65) ESR1ESR2DRD2DRD3OPRM1
Phenol SCHEMBL28134716 0.70 DRD2 (0.65) ESR1ESR2DRD2DRD3OPRM1
SCHEMBL1101358 0.70 L3MBTL1 (0.41) LTA4HMAPTLMNADRD3OPRM1
SCHEMBL1836557 0.70 NR1H2 (0.55) ESR1LTA4HNR5A1ESR2NR1H2
SCHEMBL11642255 0.69 NPC1 (0.41) ESR1LTA4HMAPTDRD3OPRM1
Phenol SCHEMBL28176923 0.69 ESR1 (0.54) ESR1NR1H2MAPTDRD2DRD3

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-0217353-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1991-01-16 EP disclosed