SCHEMBL8460248

SCHEMBL8460248

CCCCC=Cc1cc2c(cc1Br)C(C)(C)CCC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.37
RXRA P19793 7/20 0.33
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
CYP26A1 O43174 1/20 0.31

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
SCHEMBL6674082 1.00 PDE5A (0.37) PDE5ARXRARARARARBRARG
SCHEMBL6674718 0.78 RXRA (0.45) PDE5ARXRARARARARBRARG
SCHEMBL8459590 0.78 RXRA (0.45) PDE5ARXRARARARARBRARG
SCHEMBL6690730 0.75 RXRA (0.42) PDE5ARXRARARARARBRARG
SCHEMBL2464113 0.74 FAAH (0.41) PDE5A
SCHEMBL2495389 0.74 FAAH (0.41) PDE5A
SCHEMBL6678267 0.69 RXRA (0.43) RXRARARARARBRARGRXRB
SCHEMBL6678059 0.69 RXRA (0.49) RXRARARARARBRARGRXRB
SCHEMBL4668099 0.69 RXRA (0.37) RXRARARARARBRARGCYP26A1
SCHEMBL6479338 0.67 RXRA (0.47) RXRARARARARBRARGRXRB

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
US-5958956-A SKIN DISORDERS; WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
US-5726191-A TREATEMENT OF LIGHT AND AGE DAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed