SCHEMBL9822480

SCHEMBL9822480

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.40
AKR1C3 P42330 2/20 0.34
RXRA P19793 1/20 0.34
MAOB P27338 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
SCHEMBL9822584 0.84 PTGS2 (0.39) PTGS2AKR1C3
SCHEMBL9822526 0.84 RXRA (0.34) RXRA
SCHEMBL9822462 0.81 RXRA (0.34) AKR1C3RXRA
SCHEMBL9822434 0.81 RXRA (0.53) RXRA
SCHEMBL9822447 0.77 MAOB (0.59) PTGS2AKR1C3MAOB
SCHEMBL9822454 0.77 MAOB (0.59) PTGS2AKR1C3MAOB
SCHEMBL9822470 0.70 RXRA (0.52) RXRA
SCHEMBL9822439 0.68 RARA (0.47) PTGS2AKR1C3MAOB
SCHEMBL9822581 0.68 RARA (0.47) PTGS2AKR1C3MAOB
SCHEMBL4407340 0.67 RXRA (0.48) RXRA

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