SCHEMBL9817048

SCHEMBL9817048

Cc1cc(Cc2cc(C(C)(C)C)c(O)c3ccccc23)cc(C)c1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.42
ALK Q9UM73 1/20 0.42
HSPA5 P11021 2/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39
HMGB1 P09429 1/20 0.39
CXCL12 P48061 1/20 0.39
DHFR P00374 1/20 0.38

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
SCHEMBL8772324 0.90 CYP2C9 (0.44) SHBGALKHSPA5CYP2C9CYP2C19
SCHEMBL8772299 0.88 LMNA (0.45) SHBGHSPA5CYP2C9CYP2C19GABRA1
SCHEMBL8772275 0.88 HSPA5 (0.47) HSPA5CYP2C9CYP2C19GABRA1GABRB2
SCHEMBL8772295 0.86 HSPA5 (0.50) HSPA5CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL8772267 0.84 LMNA (0.53) SHBGALKLMNAHTTPKM
SCHEMBL8772290 0.84 KEAP1 (0.45) HSPA5HMGB1CXCL12
SCHEMBL8772332 0.81 HSPA5 (0.42) HSPA5CYP2C9LMNAHTTHSD17B10
SCHEMBL9128005 0.79 CA2 (0.42) HSPA5CYP2C9CYP2C19GABRA1GABRB2
SCHEMBL9833121 0.79 CYP2C19 (0.47) CYP2C9CYP2C19GABRA1GABRB2CYP1A2
SCHEMBL8772369 0.78 HSPA5 (0.49) HSPA5CYP2C9CYP2C19CYP1A2LMNA

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-0453317-A2 Image forming medium CANON KABUSHIKI KAISHA (JP) 1991-10-23 EP disclosed