SCHEMBL4679784

SCHEMBL4679784

Cc1cc(C(C)(C)C)[c]cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
CA2 P00918 2/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATP2A2 P16615 1/20 0.32
ATP2A3 Q93084 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GABRA1 P14867 1/20 0.30

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
SCHEMBL2513533 0.82 CYP1A2 (0.34) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7775588 0.81 POLB (0.31) POLB
SCHEMBL5094246 0.81 MAPT (0.35) CYP1A2ALDH1A1SMN1; SMN2POLBCA2
SCHEMBL29287492 0.76 KDM4E (0.31) CYP1A2ALDH1A1SMN1; SMN2ALOX15MAPT
SCHEMBL6544907 0.76 ALOX15 (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL10958905 0.76 CYP2C9 (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11003050 0.74 CYP1A2 (0.32) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL2423972 0.72 CYP3A4 (0.46) ALDH1A1CA2ALOX15MAPTTP53
SCHEMBL4112873 0.71 ALDH1A1 (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL8570044 0.70 HSP90AA1 (0.32) GABRA1GABRB2

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
CN-118355325-A Flexographic printing plate precursor and method for producing flexographic printing plate 富士胶片株式会社 2024-07-16 CN disclosed
EP-0945448-B1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES (JP) 2008-11-26 EP disclosed
US-6020496-A 5-alkoxy-2(3H)-oxazolone compounds and process for preparing the same UBE INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
EP-0945448-A1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES, LTD. (JP) 1999-09-29 EP disclosed