SCHEMBL8558089

SCHEMBL8558089

CCC(CC)C1CCC(C)(C)c2ccc(C=COC(=O)c3ccccc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.37
RARB P10826 6/20 0.37
RARG P13631 5/20 0.37
CYP26A1 O43174 1/20 0.33
CDC25B P30305 1/20 0.33
RXRA P19793 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
SRD5A1 P18405 2/20 0.32
SRD5A2 P31213 2/20 0.32

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
SCHEMBL8563323 0.89 RARB (0.39) RARARARBRARGCYP26A1CDC25B
SCHEMBL7597988 0.82 RARB (0.58) RARARARBRARGCYP26A1RXRA
SCHEMBL6292478 0.82 RARB (0.58) RARARARBRARGCYP26A1RXRA
SCHEMBL8557236 0.79 RARB (0.37) RARARARBRARGCYP26A1RXRA
SCHEMBL8557241 0.79 RARB (0.37) RARARARBRARGCYP26A1RXRA
SCHEMBL8632616 0.72 RARB (0.43) RARARARBRARGCYP26A1RXRA
SCHEMBL8561429 0.71 RARB (0.44) RARARARBRARGCYP26A1RXRA
SCHEMBL8635948 0.71 RARB (0.44) RARARARBRARGCYP26A1RXRA
Methane SCHEMBL8560449 0.71 RARB (0.44) RARARARBRARGCYP26A1RXRA
SCHEMBL6706263 0.71 RARG (0.48) RARARARBRARGCYP26A1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808124-A BINDING TO RETINOID RECEPTORS ALLERGAN (US) 1998-09-15 US disclosed
US-5773594-A TREATING SKIN DISORDERS, REDUCING SIDE EFFECTS OF OTHER RETINOIDS ALLERGAN (US) 1998-06-30 US disclosed
US-5763635-A Tetrahydronaphthalene derivatives substituted in the 8 position with alkyhidene groups having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-06-09 US disclosed
US-5741896-A O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-04-21 US disclosed