SCHEMBL7839741

SCHEMBL7839741

CC(C)(C)c1ccc(C=C2C(=O)C3CCC2C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX5 P09917 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
AMY1A P0DUB6 1/20 0.33
PKM P14618 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
SCHEMBL14080306 0.87 MAPT (0.38) MEN1KMT2AHTTCYP1A2MAPT
SCHEMBL28902601 0.79 KMT2A (0.50) MEN1KMT2ACYP1A2MAPTALDH1A1
SCHEMBL4665877 0.78 CYP1A2 (0.47) HTTCYP1A2MAPTALDH1A1NPSR1
SCHEMBL1824532 0.74 TDP1 (0.42) HTTCYP1A2MAPTALDH1A1MAPK1
SCHEMBL13299668 0.73 NPC1 (0.50) KMT2AHTTCYP1A2MAPTALDH1A1
SCHEMBL22667801 0.71
SCHEMBL7840041 0.69 ALDH1A1 (0.57) MEN1KMT2AHTTCYP1A2MAPT
SCHEMBL7848264 0.69 ALDH1A1 (0.72) MEN1KMT2AHTTCYP1A2MAPT
SCHEMBL8479460 0.67 NR1I2 (0.73) MEN1KMT2AHTTCYP1A2MAPT
SCHEMBL7850220 0.67 NR1I2 (0.73) MEN1KMT2AHTTCYP1A2MAPT

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-0754445-B1 Photostable cosmetic light screening compositions HOFFMANN LA ROCHE (CH) 2001-10-24 EP claimed
EP-0754445-A2 Photostable cosmetic light screening compositions GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-01-22 EP claimed
EP-0754445-B1 Photostable cosmetic light screening compositions HOFFMANN LA ROCHE (CH) 2001-10-24 EP disclosed
EP-0754445-A2 Photostable cosmetic light screening compositions GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-01-22 EP disclosed