SCHEMBL9822534

SCHEMBL9822534

CC1C(C)(C)c2ccc(C(=O)C=Cc3ccc([S+](C)[O-])cc3)cc2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
MAPT P10636 1/20 0.40
HSPD1 P10809 1/20 0.40
HSPE1 P61604 1/20 0.40
MAOB P27338 5/20 0.40
MAOA P21397 3/20 0.39
CYP1B1 Q16678 2/20 0.39
XDH P47989 1/20 0.39
TNFRSF1A P19438 2/20 0.39
PTPN1 P18031 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
CYP26A1 O43174 1/20 0.39
F3 P13726 1/20 0.38

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
SCHEMBL9822724 1.00 SNCA (0.42) SNCAABCG2MAPTHSPD1HSPE1
SCHEMBL9822447 0.84 MAOB (0.59) SNCAABCG2MAPTHSPD1HSPE1
SCHEMBL9822454 0.84 MAOB (0.59) SNCAABCG2MAPTHSPD1HSPE1
SCHEMBL9822466 0.82 MAPT (0.56) MAPT
SCHEMBL9822463 0.82 CYP26A1 (0.59) SNCACYP26A1
SCHEMBL9822502 0.82 CYP26A1 (0.59) SNCACYP26A1
SCHEMBL10335899 0.82 MAOB (0.39) SNCAABCG2MAPTMAOBMAOA
SCHEMBL10336686 0.77 MAOB (0.40) SNCAABCG2MAPTMAOBMAOA
SCHEMBL9822526 0.77 RXRA (0.34)
SCHEMBL28618557 0.69 CYP1A2 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297995-B1 POLYCYCLIC AROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND ANIMAL MEDICINE AND IN COSMETICS L'OREAL (FR) 1991-03-06 EP claimed
US-4980509-A Aromatic polycyclic derivatives, their process of preparation and their use in human and veterinary medicine and in cosmetics SOCIETE ANONYME DITE: L'OREAL (FR) 1990-12-25 US disclosed