SCHEMBL25091037

SCHEMBL25091037

Cc1ccc(C(C)(O)c2ccc(OCCO)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PSMB1 P20618 2/20 0.53
PSMB5 P28074 2/20 0.53
PSMB2 P49721 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.46
NR1I2 O75469 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
NPC1 O15118 2/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
PPARA Q07869 1/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BCL2 P10415 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL15743793 0.88 SMN1; SMN2 (0.60) CYP3A4SMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL22057964 0.86 CYP3A4 (0.58) CYP3A4SMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL82830 0.85 ALDH1A1 (0.60) CYP3A4SMN1; SMN2L3MBTL1NR1I2ALDH1A1
P-Xylene SCHEMBL6845696 0.85 ALDH1A1 (0.60) CYP3A4SMN1; SMN2L3MBTL1NR1I2ALDH1A1
SCHEMBL19687568 0.82 SMN1; SMN2 (0.66) CYP3A4SMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL18644007 0.81 ALDH1A1 (0.56) CYP3A4SMN1; SMN2L3MBTL1NR1I2ALDH1A1
Alcohol SCHEMBL10789814 0.81 NR1I2 (0.60) CYP3A4SMN1; SMN2L3MBTL1NR1I2ALDH1A1
SCHEMBL24678322 0.81 CYP3A4 (0.49) CYP3A4SMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL10023257 0.80 CYP3A4 (0.51) CYP3A4SMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL9818198 0.80 SMN1; SMN2 (0.68) CYP3A4SMN1; SMN2PSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653615-B1 CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING SAME, AND OPTICAL ARTICLE COMPRISING CURED PRODUCT FORMED OF CURABLE COMPOSITION TOKUYAMA CORP (JP) 2023-03-01 EP disclosed