SCHEMBL9822447

SCHEMBL9822447

CC1C(C)(C)c2ccc(C(=O)/C=C/c3ccc(S(C)(=O)=O)cc3)cc2C1(C)C

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.59
PTGS2 P35354 4/20 0.55
SNCA P37840 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
MAOA P21397 1/20 0.40
AKR1C3 P42330 1/20 0.40
XDH P47989 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL9822454 1.00 MAOB (0.59) MAOBPTGS2SNCAABCG2MAPT
SCHEMBL9822724 0.84 SNCA (0.42) MAOBSNCAABCG2MAPTHSPD1
SCHEMBL9822534 0.84 SNCA (0.42) MAOBSNCAABCG2MAPTHSPD1
SCHEMBL9822466 0.83 MAPT (0.56) MAPTLMNA
SCHEMBL9822438 0.81 CYP26A1 (0.60) MAOBPTGS2LMNA
SCHEMBL9822432 0.81 CYP26A1 (0.60) MAOBPTGS2LMNA
SCHEMBL10335899 0.78 MAOB (0.39) MAOBPTGS2SNCAABCG2MAPT
SCHEMBL10336686 0.78 MAOB (0.40) MAOBSNCAABCG2MAPTMAOA
SCHEMBL9822480 0.77 PTGS2 (0.40) MAOBPTGS2AKR1C3
SCHEMBL9822581 0.76 RARA (0.47) MAOBPTGS2LMNAAKR1C3

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 1 patent. 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