SCHEMBL8558861

SCHEMBL8558861

CC(C)(C)C1=CCC(C)(C)c2cc(C(=O)C=COC(=O)c3ccccc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.36
RARB P10826 7/20 0.36
RARG P13631 7/20 0.36
RXRA P19793 1/20 0.36
NR2E1 Q9Y466 1/20 0.36
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
RAB9A P51151 3/20 0.32
HSP90AA1 P07900 2/20 0.32
TNFRSF1A P19438 2/20 0.32
NPC1 O15118 2/20 0.32
MITF O75030 1/20 0.32
GAA P10253 1/20 0.31
PDK2 Q15119 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
MAPT P10636 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8467836 0.84 RARB (0.50) RARARARBRARGRXRANR2E1
Benzoic Acid SCHEMBL8558858 0.80 RARA (0.44) RARARARBRARGRXRANR2E1
SCHEMBL8557679 0.79 RAB9A (0.37) RARARARBRARGRXRANR2E1
SCHEMBL6294071 0.78 TP53 (0.55) RARARARBRARGRXRANR2E1
SCHEMBL6292938 0.75 NPC1 (0.45) RARARARBRARGRXRANR2E1
SCHEMBL8556080 0.72 TDP1 (0.51) RARARARBRARGRXRARAB9A
SCHEMBL8566205 0.69 NPC1 (0.33) RARARARBRARGRXRARAB9A
SCHEMBL7637372 0.68 RARA (0.61) RARARARBRARG
SCHEMBL7636209 0.68 RARA (0.46) RARARARBRARGPDK2
SCHEMBL6297202 0.68 RARB (0.51) 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