SCHEMBL9820534

SCHEMBL9820534

C=CC(=O)Oc1c(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2OC(=O)C=C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.35
PPARG P37231 12/20 0.35
RARG P13631 5/20 0.35
THRB P10828 2/20 0.34
RARA P10276 3/20 0.33
RARB P10826 3/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 3/20 0.33
ELANE P08246 1/20 0.33
CD69 Q07108 1/20 0.33
VCAM1 P19320 2/20 0.32
THRA P10827 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
SCHEMBL2671109 0.94 HSPA5 (0.42) VCAM1
SCHEMBL1108013 0.88 RXRA (0.39) RXRAPPARGRARGTHRBRARA
SCHEMBL7194890 0.86 HSPA5 (0.47) THRB
SCHEMBL3200009 0.86 HSPA5 (0.47) VCAM1
SCHEMBL9657298 0.85 GAA (0.38) THRBVCAM1
SCHEMBL2706073 0.84 HSPA5 (0.40) RXRAPPARGRARGVCAM1
SCHEMBL2706566 0.82 HSPA5 (0.39) THRBVCAM1THRA
SCHEMBL28970005 0.81 NR5A2 (0.37) RXRAPPARGTHRBRXRBRXRG
SCHEMBL19397278 0.81 HSPA5 (0.43) THRB
SCHEMBL9820573 0.81 HSPA5 (0.34) RXRAPPARGRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243956-B1 ADHESIVE COMPOSITIONS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-12-11 EP claimed