SCHEMBL8503301

SCHEMBL8503301

O=C(c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.74
ALDH1A1 P00352 3/20 0.73
HTT P42858 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
SRD5A2 P31213 2/20 0.69
RAB9A P51151 3/20 0.69
GAA P10253 1/20 0.69
MAPT P10636 1/20 0.69
MAOB P27338 3/20 0.68
MAOA P21397 2/20 0.68
PPARG P37231 2/20 0.64
MRGPRX4 Q96LA9 1/20 0.62
NR4A1 P22736 1/20 0.61
NR4A3 Q92570 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 2/20 0.60
POLB P06746 1/20 0.60
SENP8 Q96LD8 1/20 0.60

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
SCHEMBL8503299 0.95 SRD5A2 (0.77) NR4A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL402300 0.89 SRD5A2 (0.87) NR4A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL3232949 0.87 SRD5A2 (0.90) NR4A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL1746654 0.85 FFAR1 (0.67) NR4A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL10784618 0.85 RXRA (0.68) NR4A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL1369316 0.85 NR4A2 (1.00) NR4A2SMN1; SMN2SRD5A2RAB9AMAOB
SCHEMBL14130003 0.85 NR4A2 (0.66) NR4A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL6238323 0.84 ALDH1A1 (0.73) NR4A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL31556120 0.84 ALDH1A1 (0.78) NR4A2ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL27704685 0.84 RXRA (0.74) NR4A2ALDH1A1HTTSMN1; SMN2L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058014-C New heterocyclic spiro compounds, process for preparation thereof, and pharmaceutical compositions containing them ADIR ET CO (FR) 2000-11-01 CN disclosed
EP-0743312-B1 Spiroheterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-11-17 EP disclosed
CN-1136568-A New heterocyclic spiro compounds, process for preparation thereof, and pharmaceutical compositions containing them ADIR (FR) 1996-11-27 CN disclosed
EP-0743312-A1 Spiroheterocyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-11-20 EP disclosed