SCHEMBL11697398

SCHEMBL11697398

C=C(C)c1cc(CC)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.49
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HIF1A Q16665 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
CYP2D6 P10635 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 2/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 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
SCHEMBL5139536 0.83 SMN1; SMN2 (0.59) LMNARECQLSMN1; SMN2NPSR1HIF1A
SCHEMBL12510578 0.81 HSPA5 (0.50) HSPA5LMNARECQLSMN1; SMN2NPSR1
SCHEMBL3812720 0.81 GLRA3 (0.52) HSPA5LMNARECQLSMN1; SMN2NPSR1
SCHEMBL8960347 0.79 LMNA (0.50) HSPA5LMNARECQLSMN1; SMN2NPSR1
SCHEMBL19289494 0.77 HSP90AA1 (0.37) HSPA5LMNARECQLALDH1A1MAPT
SCHEMBL11698161 0.77 CYP2C9 (0.57) HSPA5LMNARECQLSMN1; SMN2NPSR1
SCHEMBL28404083 0.76 HSPA5 (0.56) HSPA5LMNARECQLSMN1; SMN2NPSR1
SCHEMBL9556848 0.76 SERPINE1 (0.50) HSPA5LMNARECQLCA2CA1
SCHEMBL7606811 0.75 SMN1; SMN2 (0.46) LMNARECQLSMN1; SMN2NPSR1CYP2C9
SCHEMBL45878 0.74 HSPA5 (0.75) HSPA5LMNARECQLSMN1; SMN2NPSR1

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-4045499-A ACID CATALYSTS BAYER AKTIENGESELLSCHAFT (DT) 1977-08-30 US disclosed