SCHEMBL27864656

SCHEMBL27864656

CCC(=O)Oc1ccc(CC=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ESR1 P03372 2/20 0.58
HIF1A Q16665 2/20 0.58
RECQL P46063 1/20 0.58
ELANE P08246 2/20 0.53
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ACHE P22303 2/20 0.45
THRB P10828 2/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX15 P16050 1/20 0.42
NPC1 O15118 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL10192354 0.86 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL5042252 0.84 KMT2A (0.53) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL312147 0.84 KMT2A (0.76) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL1512672 0.82 KMT2A (0.63) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11445596 0.82 KMT2A (0.73) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL27902979 0.81 KMT2A (0.61) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL170186 0.81 KMT2A (0.61) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL6794454 0.81 LMNA (0.55) KMT2ASMN1; SMN2ESR1ELANERAB9A
SCHEMBL20342007 0.80 KMT2A (0.56) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL27864662 0.80 ACHE (0.56) KMT2ASMN1; SMN2ESR1HIF1ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107365297-A A kind of Preparation Method And Their Intermediate of the benzyl propionate derivant of 2 methyl 2 ' 罗欣生物科技(上海)有限公司 2017-11-21 CN disclosed
CN-103936716-B Tool muscarinic receptor antagonists and the diamide compound of beta 2 adrenoreceptor agonists activity 施万呼吸有限责任公司 2016-09-07 CN disclosed
CN-103936716-A Diamide compounds having muscarinic receptor antagonist and beta 2 adrenoceptor agonist activity THERAVANCE INC 2014-07-23 CN disclosed
CN-102405218-B Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2014-06-04 CN disclosed
CN-102405218-A Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2012-04-04 CN disclosed