SCHEMBL6659911

SCHEMBL6659911

c1ccc(C2(c3ccccc3)CCc3c(ccc4ccccc34)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL12907870 0.87 DPP4 (0.37) KDM4EHPGDHSD17B10CYP1A2CYP2C19
SCHEMBL8723458 0.78 HPGD (0.49) KDM4EHPGDHSD17B10CYP1A2CYP2C19
SCHEMBL30588898 0.75 KDM4E (0.46) KDM4EHPGDHSD17B10CYP1A2CYP2C19
SCHEMBL25369585 0.75 KDM4E (0.46) KDM4EHPGDHSD17B10CYP1A2CYP2C19
SCHEMBL23246626 0.70 KDM4E (0.58) KDM4EHPGDHSD17B10CYP1A2CYP2C19
SCHEMBL9113086 0.69 SIGMAR1 (0.46) TSHR
SCHEMBL7473565 0.67 KDM4E (0.56) KDM4EHPGDHSD17B10CYP1A2CYP2C19
SCHEMBL30830197 0.67 KDM4E (0.56) KDM4EHPGDHSD17B10CYP1A2CYP2C19
SCHEMBL18029940 0.67 KDM4E (0.46) KDM4EHPGDHSD17B10CYP1A2CYP2C19
Water SCHEMBL16634424 0.66 KDM4E (0.54) KDM4EHPGDHSD17B10CYP1A2CYP2C19

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-1060223-B1 PHOTOCHROMIC COATING COMPOUND AND SUBSTRATE COATED WITH SAME INST NEUE MAT GEMEIN GMBH (DE) 2004-08-18 — — EP disclosed
EP-1060223-A1 PHOTOCHROMIC COATING COMPOUND AND SUBSTRATE COATED WITH SAME Institut Für Neue Materialien gem. GmbH (DE) 2000-12-20 — — EP disclosed
WO-1999041326-A1 PHOTOCHROMIC COATING COMPOUND AND SUBSTRATE COATED WITH SAME INSTITUT FÜR NEUE MATERIALIEN GEM. GMBH (DE) 1999-08-19 — — WO disclosed
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