SCHEMBL8563323

SCHEMBL8563323

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.39
RARG P13631 10/20 0.39
RARA P10276 9/20 0.39
CYP26A1 O43174 2/20 0.34
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RXRA P19793 4/20 0.34
NR2E1 Q9Y466 1/20 0.34
CDC25B P30305 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SRD5A1 P18405 2/20 0.33
SRD5A2 P31213 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 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
SCHEMBL8558089 0.89 RARA (0.37) RARBRARGRARACYP26A1RXRA
SCHEMBL8557241 0.81 RARB (0.37) RARBRARGRARACYP26A1NPC1
SCHEMBL8557236 0.81 RARB (0.37) RARBRARGRARACYP26A1NPC1
SCHEMBL6292968 0.81 RARB (0.62) RARBRARGRARACYP26A1NPC1
SCHEMBL8566205 0.79 NPC1 (0.33) RARBRARGRARACYP26A1NPC1
SCHEMBL8632616 0.74 RARB (0.43) RARBRARGRARACYP26A1NPC1
SCHEMBL8560441 0.74 RARB (0.45) RARBRARGRARACYP26A1NPC1
SCHEMBL8560444 0.74 RARB (0.45) RARBRARGRARACYP26A1NPC1
SCHEMBL6294271 0.74 RXRA (0.49) RARBRARGRARACYP26A1RXRA
SCHEMBL8560231 0.72 RARA (0.50) RARBRARGRARANPC1RXRA

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 6 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-5747542-A SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1998-05-05 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
US-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US disclosed