SCHEMBL8561400

SCHEMBL8561400

COCOC1CCC(C)(C)c2cc(C(=O)C=COC(=O)c3ccccc3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.33
AKT1 P31749 1/20 0.33
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
HSP90AA1 P07900 1/20 0.32
MAOB P27338 1/20 0.32
GPR52 Q9Y2T5 1/20 0.31
CYP26A1 O43174 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RARA P10276 3/20 0.31
IKBKB O14920 1/20 0.31
KMT2A Q03164 2/20 0.31
ESR1 P03372 1/20 0.31
NR3C1 P04150 1/20 0.31
SHBG P04278 1/20 0.31
FYN P06241 1/20 0.31

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
Benzoic Acid SCHEMBL8561398 0.83 RXRA (0.38) CYP3A4RAB9ANPC1LMNACYP26A1
SCHEMBL6298069 0.81 RARA (0.48) CYP3A4RAB9ANPC1MAPTLMNA
SCHEMBL8566205 0.81 NPC1 (0.33) CYP3A4RAB9ANPC1MAPTLMNA
SCHEMBL6294068 0.79 CYP3A4 (0.36) CYP3A4RAB9ANPC1MAPTLMNA
SCHEMBL8691663 0.71 RARA (0.58) LMNARARAIKBKBKMT2ARARB
SCHEMBL8140469 0.69 CNR2 (0.40) CYP3A4CYP26A1RARARARBRARG
SCHEMBL6297186 0.67 RXRA (0.42) CYP3A4CYP26A1RARARARBRARG
SCHEMBL8467836 0.67 RARB (0.50) RARARARBRARG
SCHEMBL6297184 0.67 RXRA (0.42) CYP3A4CYP26A1RARARARBRARG
SCHEMBL8558861 0.66 RARA (0.36) RAB9ANPC1MAPTLMNAHTT

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