SCHEMBL4456953

SCHEMBL4456953

CC(C)(C)c1cc(Cc2ccccc2)c(C(C)(C)C)cc1O.Cc1cc(Cc2ccccc2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.59
CYP2C19 P33261 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP2C9 P11712 2/20 0.57
HIF1A Q16665 2/20 0.57
CYP2D6 P10635 2/20 0.52
HSD17B10 Q99714 1/20 0.52
BCL2 P10415 1/20 0.45
BCL2L1 Q07817 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ATP2A2 P16615 1/20 0.40
ATP2A3 Q93084 1/20 0.40

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
SCHEMBL4459522 0.90 HSPA5 (0.72) HSPA5CYP2C19SMN1; SMN2CYP2C9HIF1A
SCHEMBL11561364 0.87 BCL2 (0.53) CYP2C19SMN1; SMN2CYP2C9HIF1ACYP2D6
SCHEMBL4565241 0.85 HSPA5 (0.64) HSPA5CYP2C19SMN1; SMN2CYP2C9HIF1A
SCHEMBL11682411 0.80 BCL2 (0.55) SMN1; SMN2HIF1AHSD17B10BCL2BCL2L1
SCHEMBL8772256 0.79 HSPA5 (0.68) HSPA5CYP2C19SMN1; SMN2CYP2C9HIF1A
Phenol SCHEMBL23706530 0.79 HSPA5 (0.77) HSPA5CYP2C19SMN1; SMN2CYP2C9HIF1A
SCHEMBL9145120 0.79 BCL2 (0.50) CYP2C19SMN1; SMN2HIF1ACYP2D6HSD17B10
SCHEMBL8377432 0.79 HSPA5 (0.72) HSPA5CYP2C19SMN1; SMN2CYP2C9HIF1A
SCHEMBL28672465 0.79 HSPA5 (0.77) HSPA5CYP2C19SMN1; SMN2CYP2C9HIF1A
SCHEMBL12309162 0.77 HSPA5 (0.60) HSPA5CYP2C19SMN1; SMN2CYP2C9HIF1A

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-20090081578-A1 METHOD OF PREPARING SILVER CARBOXYLATE SOAPS CARESTREAM HEALTH, INC. 2009-03-26 US disclosed