SCHEMBL8626322

SCHEMBL8626322

[CH]=C(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.64
CES1 P23141 2/20 0.64
CA4 P22748 1/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
LTA4H P09960 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
HSD11B1 P28845 1/20 0.49

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
SCHEMBL19974595 0.91 CES2 (0.58) CES2CES1CA1CA2MAPT
SCHEMBL7953 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL9723456 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL68050 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL30741457 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL10518077 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL9102 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL68051 0.82 CES2 (0.69) CES2CES1CA4CA1CA2
SCHEMBL5788885 0.80 CES2 (0.67) CES2CES1CA4CA1CA2
SCHEMBL1866929 0.79 CA1 (0.60) CES2CES1CA1CA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE28698-E Electrophotographic material containing sensitizers MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JA) 1976-01-27 US claimed
JP-62092961-A None JP disclosed
EP-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP disclosed
JP-S6292961-A LAMINATED ELECTROPHOTOGRAPHIC SENSITIVE BODY MATSUSHITA ELECTRIC IND CO LTD 1987-04-28 JP disclosed
US-RE28698-E Electrophotographic material containing sensitizers MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JA) 1976-01-27 US disclosed