SCHEMBL21097154

SCHEMBL21097154

Cc1ccc(C)c(Cc2cc(C)cc(Cc3cc(C)c(O)cc3C)c2O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.64
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 4/20 0.47
HIF1A Q16665 4/20 0.47
CYP2D6 P10635 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSPA5 P11021 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
G6PD P11413 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL21096815 0.93 AMY1A (0.52) AMY1ACYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL30375265 0.91 AMY1A (0.58) AMY1ACYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL278491 0.91 AMY1A (0.58) AMY1ACYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL13609020 0.91 AMY1A (0.58) AMY1ACYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL29941774 0.91 AMY1A (0.58) AMY1ACYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL22534405 0.86 AMY1A (0.50) AMY1ACYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL22408782 0.84 AMY1A (0.65) AMY1ACYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL1057297 0.84 CYP2C9 (0.51) AMY1ACYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL27423598 0.83 AMY1A (0.63) AMY1ACYP2C9CYP2C19HIF1ACYP2D6
SCHEMBL16081299 0.83 ESR1 (0.56) AMY1ACYP2C9CYP2C19HIF1ACYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3686252-A1 RADIATION CURABLE INKJET INK FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT NV (BE) 2020-07-29 EP disclosed
EP-3656824-A1 RADIATION CURABLE INKJET FOR MANUFACTURING PRINTED CIRCUIT BOARDS AGFA-GEVAERT NV (BE) 2020-05-27 EP disclosed
EP-3498788-A1 SOLDER MASK INKJET INKS FOR MANUFACTURING PRINTED CIRCUIT BOARDS Agfa-Gevaert (BE) 2019-06-19 EP disclosed