SCHEMBL9504663

SCHEMBL9504663

Oc1ccc(O)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.65
BACE1 P56817 2/20 0.62
BCL2L1 Q07817 2/20 0.58
MMP3 P08254 1/20 0.58
ESR2 Q92731 7/20 0.55
ESR1 P03372 5/20 0.55
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
PELI1 Q96FA3 1/20 0.53
HSD17B1 P14061 3/20 0.51
HSD17B2 P37059 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
Ethyne SCHEMBL29161596 0.96 ALOX5 (0.61) ALOX5BACE1BCL2L1MMP3ESR2
SCHEMBL29458798 0.96 ALOX5 (0.71) ALOX5BACE1BCL2L1MMP3ESR2
SCHEMBL68984 0.96 ALOX5 (0.71) ALOX5BACE1BCL2L1MMP3ESR2
Phenol SCHEMBL28262809 0.91 ALOX5 (0.65) ALOX5BACE1BCL2L1MMP3ESR2
Ethane SCHEMBL27660206 0.91 ALOX5 (0.65) ALOX5BACE1BCL2L1MMP3ESR2
SCHEMBL510289 0.89 BCL2L1 (0.62) ALOX5BACE1BCL2L1MMP3ESR2
SCHEMBL510164 0.89 BCL2L1 (0.62) ALOX5BACE1BCL2L1MMP3ESR2
SCHEMBL17753410 0.89 ALOX5 (0.59) ALOX5BACE1BCL2L1MMP3ESR2
SCHEMBL13861252 0.89 PELI1 (0.53) ALOX5BACE1ESR2ESR1ALDH1A1
SCHEMBL509310 0.86 BACE1 (0.68) ALOX5BACE1BCL2L1MMP3ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337175-B1 ELECTROCHEMICAL SYNTHESIS OF 2-ARYL-HYDROQUINONES MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-05-19 EP disclosed
US-5098531-A ELECTROCHEMICAL SYNTHESIS OF 2-ARYL-HYDROQUINONES ISTITUTO GUIDO DONEGANI S.P.A. (IT) 1992-03-24 US disclosed
EP-0337175-A1 Electrochemical synthesis of 2-aryl-hydroquinones MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1989-10-18 EP disclosed