SCHEMBL9858540

SCHEMBL9858540

Cc1c(CC(CC(CC(Cc2cc(C(C)(C)C)c(O)c(C)c2C)C(=O)O)(CC(Cc2cc(C(C)(C)C)c(O)c(C)c2C)C(=O)O)CC(Cc2cc(C(C)(C)C)c(O)c(C)c2C)C(=O)O)C(=O)O)cc(C(C)(C)C)c(O)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
HSPA5 P11021 1/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HIF1A Q16665 3/20 0.36
ALDH1A1 P00352 2/20 0.35
CA2 P00918 2/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL11662216 0.84 GLRA3 (0.43) GLRA3GLRBHSPA5CYP2C9CYP2C19
SCHEMBL9408130 0.81 CYP2C19 (0.41) GLRA3GLRBHSPA5CYP2C9CYP2C19
SCHEMBL201844 0.80 HMGCR (0.47) GLRA3GLRBCYP2C9CYP2C19SMN1; SMN2
SCHEMBL6714136 0.78 CYP1A2 (0.42) GLRA3GLRBHSPA5CYP2C9CYP2C19
SCHEMBL11581512 0.74 GLRA3 (0.46) GLRA3GLRBHSPA5CYP2C9CYP2C19
SCHEMBL2905207 0.74 TDP1 (0.36) GLRA3GLRBCYP2C9SMN1; SMN2HIF1A
SCHEMBL11663340 0.73 HMGCR (0.41) GLRA3GLRBHSPA5CYP2C9CYP2C19
SCHEMBL9117848 0.72 HMGCR (0.43) GLRA3GLRBCYP2C9CYP2C19HIF1A
SCHEMBL14351587 0.72 GRIK1 (0.38) CYP2C9CYP2C19CA2TP53CYP2D6
SCHEMBL11665550 0.72 GLRA3 (0.43) GLRA3GLRBHSPA5CYP2C9CYP2C19

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-0199194-B1 ELASTAN YARNS, THEIR PREPARATION AND INTERMEDIARY PRODUCTS NEEDED THEREFOR BAYER AG (DE) 1991-03-13 EP disclosed