SCHEMBL7848714

SCHEMBL7848714

CCCOc1cccc(C=C2CC3CC(C2=O)C3(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
KMT2A Q03164 7/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
MEN1 O00255 6/20 0.39
POLB P06746 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GSK3B P49841 4/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CCR6 P51684 1/20 0.38
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL7839983 0.73 DYRK1A (0.49) MAOBKMT2ANPC1RAB9AMEN1
SCHEMBL3438378 0.72 EGFR (0.52) MAOAMAOBBCHEACHEKMT2A
SCHEMBL12685645 0.69 HPGD (0.51) MAOAMAOBBCHEACHEKMT2A
SCHEMBL6197866 0.67 KMT2A (0.50) KMT2ANPC1RAB9AMEN1POLB
SCHEMBL910596 0.67 MAOA (0.58) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL29955687 0.67 MAOA (0.58) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL3438537 0.66 EGFR (0.51) MAOAMAOBBCHEACHEKMT2A
SCHEMBL59487 0.65 KMT2A (0.51) MAOAMAOBKMT2ANPC1RAB9A
SCHEMBL7668303 0.65 KDM4E (0.59) MAOBBCHEKMT2AKDM4ETLR4
SCHEMBL3438036 0.65 EGFR (0.49) MAOAMAOBBCHEACHETLR4

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