SCHEMBL12864312

SCHEMBL12864312

C=CC(=O)Oc1c(Cc2cc(C(C)(C)CC)cc(CC(C)CC)c2O)cc(C(C)(C)CC)cc1C(C)(C)CC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.32
▸ PPARG P37231 5/20 0.32
▸ RARG P13631 4/20 0.32
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 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
SCHEMBL2612511 0.88 RXRA (0.36) RXRAPPARGRARGRARARARB
SCHEMBL13256688 0.87 CYP2C9 (0.32) —
SCHEMBL2706076 0.87 RXRA (0.33) RXRAPPARGRARGRARARARB
SCHEMBL12856180 0.86 RXRA (0.34) RXRAPPARGRARGRARARARB
SCHEMBL2706073 0.82 HSPA5 (0.40) RXRAPPARGRARG
SCHEMBL2708074 0.82 — —
SCHEMBL30123296 0.81 RXRA (0.40) RXRAPPARGRARGRARARARB
SCHEMBL14125259 0.80 CYP2C9 (0.30) —
SCHEMBL2708077 0.80 CNR2 (0.33) RXRAPPARGRARG
SCHEMBL1160149 0.79 RXRA (0.36) RXRAPPARGRARGRARARARB

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
US-20110046278-A1 ADDITIVE MIXTURES FOR STYRENIC POLYMERS BASF SE (US) 2011-02-24 — — US disclosed
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