SCHEMBL7850504

SCHEMBL7850504

COc1ccc(C=C2C(=O)C3CC(C2C)C3(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.72
ALDH1A1 P00352 1/20 0.72
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PIM1 P11309 1/20 0.43
AKR1B1 P15121 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
DYRK1A Q13627 6/20 0.42
CLK1 P49759 5/20 0.42
DYRK1B Q9Y463 5/20 0.42
CYP1A2 P05177 1/20 0.40
METAP1 P53582 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
POLB P06746 1/20 0.39
DYRK2 Q92630 1/20 0.39

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
SCHEMBL7840473 0.90 KDM4E (0.57) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7848955 0.83 ALDH1A1 (0.75) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7848393 0.83 ALDH1A1 (0.75) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7848264 0.82 ALDH1A1 (0.72) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL7839983 0.72 DYRK1A (0.49) KMT2AMEN1NPC1RAB9APIM1
SCHEMBL7840041 0.71 ALDH1A1 (0.57) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL5551397 0.70 GAA (0.43) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL14344321 0.70 GAA (0.43) KDM4EALDH1A1KMT2AMEN1NPC1
SCHEMBL28902601 0.70 KMT2A (0.50) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL14080301 0.68 KMT2A (0.46) KMT2AMEN1NPC1RAB9APIM1

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