SCHEMBL6886563

SCHEMBL6886563

COc1c(C(O)CC(=O)O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.41
PPARG P37231 10/20 0.41
RARG P13631 4/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CD69 Q07108 2/20 0.38
ELANE P08246 1/20 0.38
TNFRSF1A P19438 1/20 0.36
RARA P10276 3/20 0.34
RARB P10826 3/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
VCAM1 P19320 2/20 0.34
MAPK14 Q16539 1/20 0.33

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
SCHEMBL7794823 0.86 RXRA (0.41) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL312880 0.84 RXRA (0.36) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL13452000 0.74 RARG (0.37) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL7796138 0.74 RXRA (0.44) RXRAPPARGRARGTSHRCD69
SCHEMBL6342590 0.74 RARG (0.36) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL7794800 0.73 ALDH1A1 (0.40) RXRACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL7794794 0.72 SMN1; SMN2 (0.39) CYP2C9CYP2C19TNFRSF1A
SCHEMBL8608738 0.72 RXRA (0.37) RXRAPPARGRARGCYP1A2CYP3A4
SCHEMBL7792466 0.71 NR1H4 (0.45) RXRAPPARGRARGCD69ELANE
SCHEMBL818596 0.71 CD69 (0.56) RXRAPPARGRARGCYP1A2CYP3A4

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-1471056-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME Takeda Chemical Industries, Ltd. (JP) 2004-10-27 EP disclosed