SCHEMBL7022690

SCHEMBL7022690

Cc1cc2c(cc1-c1cccc(C=CC=O)c1)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.46
RXRG P48443 4/20 0.44
RXRB P28702 3/20 0.44
RARG P13631 9/20 0.42
RARB P10826 8/20 0.41
CCNB2 O95067 3/20 0.40
CDK1 P06493 3/20 0.40
CDK4 P11802 3/20 0.40
CCNB1 P14635 3/20 0.40
CCND1 P24385 3/20 0.40
CCNB3 Q8WWL7 3/20 0.40
RARA P10276 7/20 0.38
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPK1 P28482 1/20 0.36
BRD4 O60885 1/20 0.34

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
SCHEMBL6478105 0.87 RXRA (0.48) RXRARXRGRXRBRARGRARB
SCHEMBL6874738 0.82 RXRA (0.67) RXRARXRGRXRBRARGRARB
SCHEMBL6032311 0.82 RXRA (0.67) RXRARXRGRXRBRARGRARB
SCHEMBL6822269 0.82 RXRA (0.67) RXRARXRGRXRBRARGRARB
SCHEMBL6877491 0.81 RXRA (0.54) RXRARXRGRXRBRARGRARB
SCHEMBL6870456 0.81 RXRA (0.49) RXRARXRGRXRBRARGRARB
SCHEMBL6870454 0.81 RXRA (0.49) RXRARXRGRXRBRARGRARB
SCHEMBL6876425 0.80 RXRA (0.53) RXRARXRGRXRBRARGRARB
SCHEMBL6472766 0.78 RXRA (0.60) RXRARXRGRXRBRARGRARB
SCHEMBL6472771 0.78 RXRA (0.60) RXRARXRGRXRBRARGRARB

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-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP claimed