SCHEMBL11248433

SCHEMBL11248433

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cc2cc(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc(C(C)(C)C)c2O)c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.76
HIF1A Q16665 4/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
CYP2D6 P10635 2/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 8/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 3/20 0.52
MEN1 O00255 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
BLM P54132 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ALOX15 P16050 2/20 0.52

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
SCHEMBL9475140 0.96 HSPA5 (0.70) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL39543 0.92 HSPA5 (0.65) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL39559 0.89 ALDH1A1 (0.63) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL8047562 0.89 HSPA5 (0.83) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL18902069 0.89 HSPA5 (0.71) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL12430324 0.88 HSPA5 (0.65) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL526641 0.87 ALDH1A1 (0.61) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL2349337 0.86 HSPA5 (0.73) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL8114199 0.86 HSPA5 (0.73) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL27533 0.86 HSPA5 (1.00) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2

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-4319052-A Method for preparing sterically hindered bis- or polyphenols STYSKIN EVGENY L 1982-03-09 US disclosed