SCHEMBL28512923

SCHEMBL28512923

O=C(/C=C(/Oc1ccc(F)cc1)c1ccccc1)Oc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
ATM Q13315 1/20 0.45
ELANE P08246 1/20 0.42
PLA2G7 Q13093 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
PARP10 Q53GL7 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TTR P02766 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 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
SCHEMBL28512933 1.00 KMT2A (0.45) KMT2AATMELANEPLA2G7RAB9A
SCHEMBL28512481 0.83 ELANE (0.42) KMT2AELANERAB9APARP10ALDH1A1
SCHEMBL28518223 0.83 CES2 (0.47) KMT2AELANERAB9ANPC1ALDH1A1
SCHEMBL28514310 0.83 ELANE (0.42) KMT2AELANERAB9ANPC1PARP10
SCHEMBL28513065 0.83 CES2 (0.47) KMT2AELANERAB9ANPC1ALDH1A1
SCHEMBL28507358 0.83 ELANE (0.42) KMT2AELANERAB9APARP10ALDH1A1
SCHEMBL28513500 0.83 ELANE (0.42) KMT2AELANERAB9ANPC1PARP10
SCHEMBL28397010 0.82 ELANE (0.49) KMT2AATMELANEPLA2G7GAA
SCHEMBL2464842 0.77 KMT2A (0.65) KMT2AATMPLA2G7RAB9ANPC1
SCHEMBL13754641 0.73 SMN1; SMN2 (0.44) KMT2AATMGAAALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174819-B Alkenyl aryl ethers and process for their preparation 江西师范大学 2023-03-28 CN claimed
CN-112174819-A Alkenyl aryl ether and preparation method thereof 江西师范大学 2021-01-05 CN claimed
CN-112174819-B Alkenyl aryl ethers and process for their preparation 江西师范大学 2023-03-28 CN disclosed
CN-112174819-A Alkenyl aryl ether and preparation method thereof 江西师范大学 2021-01-05 CN disclosed