SCHEMBL9054067

SCHEMBL9054067

Cc1cc2c(cc1C=O)C(C)(C)CC(C)(C)S2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.38
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
HSPA9 P38646 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
KCNJ1 P48048 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
SCHEMBL9055225 0.94 RARA (0.38) RARARARBRARGHSPA9ALDH1A1
SCHEMBL7194958 0.77 RARA (0.36) RARARARBRARGHSPA9ALDH1A1
SCHEMBL9054641 0.76 RARA (0.40) RARARARBRARGALDH1A1SMN1; SMN2
SCHEMBL9052965 0.74 RARB (0.46) RARARARBRARGHSPA9ALDH1A1
SCHEMBL9054684 0.74 RARB (0.38) RARARARBRARGHSPA9ALDH1A1
SCHEMBL7195651 0.74 HSPA9 (0.47) RARARARBRARGHSPA9ALDH1A1
SCHEMBL9053976 0.73 RARA (0.36) RARARARBRARGHSPA9ALDH1A1
SCHEMBL8561089 0.73 RARA (0.34) RARARARBRARGHSPA9
SCHEMBL4666462 0.72 RARG (0.51) RARARARBRARGALDH1A1SMN1; SMN2
SCHEMBL9218029 0.70 RARA (0.35) RARARARBRARGALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5498755-A IMINE COMPOUNDS FOR SKIN DISORDERS AND ANTIINFLAMMATORY AGENTS ALLERGAN, INC. 1996-03-12 US disclosed
WO-1996006070-A1 DISUBSTITUTED ARYL AND HETEROARYL IMINES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-02-29 WO disclosed