SCHEMBL24678322

SCHEMBL24678322

C#CC(O)(c1ccc(C)cc1)c1ccc(OCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 3/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
WDR5 P61964 1/20 0.36
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL15763651 0.88 LTA4H (0.42) SMN1; SMN2L3MBTL1ALDH1A1NPC1DRD2
SCHEMBL1815976 0.88 CYP3A4 (0.49) CYP3A4SMN1; SMN2L3MBTL1NR1I2ALDH1A1
SCHEMBL15490909 0.88 ACACB (0.43) L3MBTL1ALDH1A1NPC1DRD2DRD4
SCHEMBL719359 0.86 ALDH1A1 (0.55) CYP3A4SMN1; SMN2NR1I2ALDH1A1RECQL
SCHEMBL1817358 0.85 SMN1; SMN2 (0.45) CYP3A4SMN1; SMN2L3MBTL1NR1I2ALDH1A1
SCHEMBL10261885 0.81 LTA4H (0.47) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL10262594 0.81 LTA4H (0.47) CYP3A4SMN1; SMN2ALDH1A1GAA
SCHEMBL25091037 0.81 CYP3A4 (0.58) CYP3A4SMN1; SMN2L3MBTL1NR1I2ALDH1A1
SCHEMBL22005275 0.81 CYP3A4 (0.41) CYP3A4SMN1; SMN2L3MBTL1ALDH1A1DRD2
SCHEMBL25954129 0.80 TEAD4 (0.44) CYP3A4SMN1; SMN2ALDH1A1NPC1MEN1

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
US-20230280500-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC CURABLE COMPOSITION, CURED BODY, LENS AND EYEGLASSES TOKUYAMA CORPORATION (JP) 2023-09-07 US disclosed
US-20230242809-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed
US-20230242809-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed
EP-4047030-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND Tokuyama Corporation (JP) 2022-08-24 EP disclosed