SCHEMBL9397888

SCHEMBL9397888

O=C(OCCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.65
ESR2 Q92731 1/20 0.65
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
MAPT P10636 3/20 0.62
KDM4E B2RXH2 2/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
HRH3 Q9Y5N1 2/20 0.56
GPR52 Q9Y2T5 1/20 0.54
DRD3 P35462 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL27691343 0.90 HRH3 (0.64) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL7572516 0.90 L3MBTL1 (0.65) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL4459400 0.85 ESR1 (0.86) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL2706461 0.84 KMT2A (0.66) NPC1RAB9AMAPTKDM4EHTT
SCHEMBL4570310 0.83 HRH3 (0.66) NPC1RAB9AMAPTKDM4EHTT
SCHEMBL27327003 0.83 L3MBTL1 (0.69) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL7568065 0.82 L3MBTL1 (0.63) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL16606218 0.82 HRH3 (0.59) NPC1RAB9AMAPTKDM4EHTT
Phenethyl Benzoate SCHEMBL168823 0.81 ESR1 (0.80) ESR1ESR2NPC1RAB9AL3MBTL1
Phenethyl Benzoate SCHEMBL4351681 0.81 ESR1 (0.80) ESR1ESR2NPC1RAB9AL3MBTL1

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
US-5362607-A Photo-patternable in absence of moisture; treating substrate with positive resist composition, baking, irradiating resist in patterned way, heating, developing; resist of water-soluble phenolic resin, tertiary butyl compound, aryl onium salt MICROSI, INC. (US) 1994-11-08 US claimed