SCHEMBL4845335

SCHEMBL4845335

COC(=O)C(=Cc1cccc(OC)c1OC)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 4/20 0.56
▸ KDM4E B2RXH2 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TRPM8 Q7Z2W7 1/20 0.49
▸ TP53 P04637 1/20 0.46
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ IKBKG Q9Y6K9 1/20 0.44
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ CTNNB1 P35222 1/20 0.42
▸ TCF7L2 Q9NQB0 1/20 0.42

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
SCHEMBL4845329 1.00 NFE2L2 (0.56) NFE2L2KDM4EHPGDLMNATRPM8
SCHEMBL8357109 0.87 ABCG2 (0.47) NFE2L2KDM4EHPGDLMNATP53
SCHEMBL13018860 0.82 MAPT (0.40) NFE2L2KDM4EHPGDLMNAALDH1A1
SCHEMBL14462725 0.81 NFE2L2 (0.59) NFE2L2KDM4EHPGDLMNATRPM8
SCHEMBL10395173 0.77 KMT2A (0.45) KDM4EHPGDLMNATP53CYP1A1
SCHEMBL24037066 0.77 RECQL (0.40) LMNAADORA2AADORA2BADORA1CYP1A2
SCHEMBL10666690 0.77 NFE2L2 (0.55) NFE2L2KDM4EHPGDLMNATRPM8
SCHEMBL7789732 0.77 BACE1 (0.46) HPGDLMNA
SCHEMBL17318680 0.77 RECQL (0.45) NFE2L2LMNAALDH1A1
SCHEMBL17318679 0.77 RECQL (0.45) NFE2L2LMNAALDH1A1

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-1963918-A1 PHOTOCHROMIC 2H-NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2008-09-03 — — EP disclosed
US-20070145337-A1 Photochromic 2H-naphthopyrans TRANSITIONS OPTICAL, INC. 2007-06-28 — — US disclosed
WO-2007073463-A1 PHOTOCHROMIC 2H-NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2007-06-28 — — WO disclosed
US-4975463-A VIRICIDES; AIDS TREATMENT TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1990-12-04 — — US disclosed
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