SCHEMBL6560607

SCHEMBL6560607

[CH2]CCCCOc1cc2c(cc1Br)C(C)(C)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.38
PPARG P37231 1/20 0.37
NR1H3 Q13133 1/20 0.37
RARA P10276 3/20 0.35
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
HNF4A P41235 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CYP26A1 O43174 1/20 0.33
PTPN1 P18031 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
SCHEMBL6479338 0.86 RXRA (0.47) RXRAPPARGNR1H3RARARARB
SCHEMBL6874366 0.85 RXRA (0.49) RXRAPPARGNR1H3RARARARB
SCHEMBL6033311 0.84 RARA (0.46) RXRAPPARGNR1H3RARARARB
SCHEMBL5364822 0.83 RXRA (0.48) RXRAPPARGNR1H3RARARARB
SCHEMBL6033082 0.82 RXRA (0.43) RXRAPPARGNR1H3RARARARB
SCHEMBL8037984 0.79 RXRA (0.36) RXRAPPARGNR1H3RARARARB
SCHEMBL8005483 0.79 RXRA (0.50) RXRARARARARBRARGHNF4A
SCHEMBL8522363 0.77 RXRA (0.37) RXRAPPARGNR1H3RARARARB
SCHEMBL5846268 0.76 RXRA (0.36) RXRARARARARBRARGHNF4A
SCHEMBL8522361 0.75 RXRA (0.34) RXRAPPARGNR1H3RARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086080-B1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2004-08-25 EP disclosed
EP-0826657-B1 Compounds for modulation of hormone receptors, compositions containing them and their use in therapy CT INTERNAT DE RECH S (FR) 2001-08-01 EP disclosed
EP-1086080-A1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS Galderma Research & Development, S.N.C. (FR) 2001-03-28 EP disclosed
WO-1999065872-A1 DIARYLSELENIDE COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 1999-12-23 WO disclosed
EP-0826657-A1 Compounds for modulation of hormone receptors, compositions containing them and their use in therapy CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-03-04 EP disclosed