SCHEMBL30375478

SCHEMBL30375478

Cc1cc(Cc2cc(C)cc(Cc3c(C)cc(C)c(C)c3O)c2O)c(O)c(Cc2c(C)cc(C)c(C)c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.50
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 4/20 0.49
HIF1A Q16665 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2D6 P10635 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HSPA5 P11021 1/20 0.46
SIRT1 Q96EB6 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
ACHE P22303 1/20 0.32
TP53 P04637 1/20 0.32
SHBG P04278 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL29215724 1.00 AMY1A (0.50) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL22500206 0.91 CYP2C9 (0.42) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29290543 0.83 AMY1A (0.56) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL30375451 0.83 AMY1A (0.56) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29636511 0.78 AMY1A (0.50) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL3194299 0.78 AMY1A (0.50) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL22500311 0.77 AMY1A (0.53) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL677424 0.77 AMY1A (0.53) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL4456468 0.76 AMY1A (0.61) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL30374837 0.76 AMY1A (0.61) AMY1ACYP2C9CYP2C19HIF1ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 CN disclosed
CN-113785023-B Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same 株式会社百乐 2023-05-12 CN disclosed