SCHEMBL9364192

SCHEMBL9364192

C=CCOC(=O)c1cccc(Oc2cccc(C(=O)OCC=C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
AKR1C3 P42330 1/20 0.49
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SNCA P37840 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 2/20 0.45
TNKS O95271 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP10 Q53GL7 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
SERPINE1 P05121 1/20 0.44
ERCC5 P28715 1/20 0.44

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
SCHEMBL9359962 0.94 TNKS (0.51) CYP3A4ADRB2ADRB1ADRB3AKR1C3
SCHEMBL27294341 0.89 ADRB2 (0.62) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL157805 0.88 CYP3A4 (0.61) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL16372021 0.88 CYP3A4 (0.61) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6328038 0.88 PARP15 (0.46) CYP3A4ADRB2ADRB1ADRB3AKR1C3
Benzene SCHEMBL29140663 0.86 CYP3A4 (0.59) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL30625938 0.86 ADRB2 (0.57) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL12904275 0.86 CYP3A4 (0.49) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9576387 0.85 CYP3A4 (0.58) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL20520164 0.84 MAPK1 (0.52) CYP3A4ADRB2ADRB1ADRB3ALDH1A1

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
EP-0234450-B1 Thermosetting resin and prepreg and laminate using the same HITACHI LTD (JP) 1994-10-12 EP disclosed
US-4933228-A Thermosetting resin and prepreg and laminate using the same HITACHI, LTD. (JP) 1990-06-12 US disclosed
US-4886858-A POLY(P-HYDROXYSTYRENE); PRINTED CIRCUITS HITACHI, LTD. (JP) 1989-12-12 US disclosed
US-4752641-A POLYFUNCTIONAL MALEIMIDE, ALKENYLPHENOLS OR ALKENYLPHENOL ETHERS, AND ALLYL ESTER OF POLYVALENT CARBOXYLIC ACID OR CYANURIC OR ISOCYANURIC ACID HITACHI, LTD. (JP) 1988-06-21 US disclosed