SCHEMBL11722271

SCHEMBL11722271

CC(C)(C)c1cc(Cl)cc(CO)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.47
CYP2C9 P11712 5/20 0.46
CYP2C19 P33261 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HIF1A Q16665 4/20 0.46
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
CYP1A2 P05177 4/20 0.42
ALOX15 P16050 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
GMNN O75496 1/20 0.42
GABBR2 O75899 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8897075 0.86 HSPA5 (0.63) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL1170584 0.85 HSPA5 (0.53) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL29087535 0.83 HSPA5 (0.46) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL25449368 0.82 PDK2 (0.37) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL47579 0.81 CA2 (0.64) CYP2C9CYP2C19SMN1; SMN2HIF1ACA2
SCHEMBL4231189 0.79 HSPA5 (0.42) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL1004123 0.79 CYP2C9 (0.50) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL938679 0.78 ALDH1A1 (0.49) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL29577789 0.78 ALDH1A1 (0.49) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL10245551 0.78 HSPA5 (0.75) HSPA5CYP2C9CYP2C19SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4035435-A FORMALDEHYDE, RESORCINOL COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN, RAISON SOCIALE MICHELIN & CIE (FR) 1977-07-12 US disclosed
US-4025454-A PHENOLIC RESIN BLEND COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN, RAISON SOCIALE MICHELIN & CIE (FR) 1977-05-24 US disclosed