SCHEMBL9217050

SCHEMBL9217050

C=C(C)Cc1cc(C)cc(CC(=C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.44
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSPA5 P11021 1/20 0.39
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
ALDH1A1 P00352 3/20 0.35
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4224508 0.79 PTGS1 (0.38) ALDH1A1CA2KDM4ELMNAMAPT
SCHEMBL21811149 0.77 AMY1A (0.44) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL240694 0.77 ALOX15 (0.53) CYP2C9CYP2C19HIF1ASMN1; SMN2ALDH1A1
SCHEMBL12035986 0.77 AMY1A (0.53) AMY1ASMN1; SMN2ALDH1A1HSD17B10GAA
SCHEMBL31028402 0.77 AMY1A (0.53) AMY1ASMN1; SMN2ALDH1A1HSD17B10GAA
SCHEMBL1721102 0.77 CA1 (0.30) CA2
SCHEMBL11061615 0.74 GABRA1 (0.52) HSPA5ALDH1A1HSD17B10CA2GAA
SCHEMBL15212729 0.74 GAA (0.43) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL21547602 0.74 CYP2C9 (0.38) CYP2C9CYP2C19HIF1ASMN1; SMN2HSPA5
SCHEMBL11402259 0.72 TRPA1 (0.46) AMY1ASELLSELPSELEALDH1A1

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
JP-7126203-A None JP disclosed
JP-H07126203-A METHALLYLPHENOL COMPOUND TOAGOSEI CO LTD 1995-05-16 JP disclosed