SCHEMBL8557713

SCHEMBL8557713

CC1(C)CC=C(Sc2ccccc2)c2cc(C=Cc3ccccc3C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 11/20 0.52
RARB P10826 10/20 0.52
RARG P13631 10/20 0.52
RXRA P19793 1/20 0.52
NR2E1 Q9Y466 1/20 0.52
GRIK1 P39086 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
GRIK2 Q13002 1/20 0.42
GRIK3 Q13003 1/20 0.42
PTPN1 P18031 1/20 0.36
HNF4A P41235 1/20 0.36
LCK P06239 1/20 0.33
CAPN1 P07384 1/20 0.33
APP P05067 3/20 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
SCHEMBL6759496 0.87 RARA (0.51) RARARARBRARGRXRANR2E1
SCHEMBL6759497 0.87 RARA (0.51) RARARARBRARGRXRANR2E1
SCHEMBL6294021 0.86 RARA (0.69) RARARARBRARGRXRANR2E1
SCHEMBL6294022 0.86 RARA (0.69) RARARARBRARGRXRANR2E1
SCHEMBL8332863 0.80 RARB (0.66) RARARARBRARGRXRANR2E1
SCHEMBL8331621 0.80 RARB (0.66) RARARARBRARGRXRANR2E1
SCHEMBL8557715 0.79 RARA (0.48) RARARARBRARGRXRANR2E1
SCHEMBL6705630 0.79 RARA (0.48) RARARARBRARGRXRANR2E1
SCHEMBL8561419 0.78 RARA (0.57) RARARARBRARGRXRANR2E1
SCHEMBL8561424 0.78 RARA (0.57) RARARARBRARGRXRANR2E1

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