SCHEMBL8557236

SCHEMBL8557236

CC1(C)CCC(C2SCCCS2)c2cc(/C=C/OC(=O)c3ccccc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.37
RARG P13631 10/20 0.37
RARA P10276 9/20 0.37
RXRA P19793 6/20 0.34
CYP26B1 Q9NR63 1/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP26A1 O43174 2/20 0.33
CYP2C9 P11712 1/20 0.33
STAT3 P40763 1/20 0.33
NR2E1 Q9Y466 1/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ESR1 P03372 1/20 0.32
NR3C1 P04150 1/20 0.32
SHBG P04278 1/20 0.32
FYN P06241 1/20 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
SCHEMBL8557241 1.00 RARB (0.37) RARBRARGRARARXRACYP26B1
SCHEMBL6292764 0.83 RARB (0.57) RARBRARGRARARXRACYP26B1
SCHEMBL6292765 0.83 RARB (0.57) RARBRARGRARARXRACYP26B1
SCHEMBL8644027 0.82 RARA (0.41) RARBRARGRARAKMT2AALDH1A1
SCHEMBL8563323 0.81 RARB (0.39) RARBRARGRARARXRAKMT2A
SCHEMBL8558089 0.79 RARA (0.37) RARBRARGRARARXRAKMT2A
SCHEMBL8644033 0.74 RARB (0.43) RARBRARGRARARXRACYP26B1
SCHEMBL8644030 0.74 RARB (0.43) RARBRARGRARARXRACYP26B1
SCHEMBL8632616 0.72 RARB (0.43) RARBRARGRARARXRAALDH1A1
SCHEMBL8850861 0.71 RARB (0.57) RARBRARGRARARXRACYP26A1

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