SCHEMBL2258395

SCHEMBL2258395

NC(=O)OC(CO)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MMP12 P39900 2/20 0.44
ADA P00813 2/20 0.44
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
KMT2A Q03164 1/20 0.43
MGLL Q99685 1/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SYNJ2 O15056 1/20 0.40

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
SCHEMBL29202441 1.00 LMNA (0.47) LMNAMMP12ADAANPEPERAP1
SCHEMBL18114457 1.00 LMNA (0.47) LMNAMMP12ADAANPEPERAP1
SCHEMBL13619398 0.91 LMNA (0.51) LMNAMMP12ANPEPERAP1ERAP2
SCHEMBL28767958 0.84 KMT2A (0.48) LMNAMMP12ANPEPERAP1ERAP2
SCHEMBL28432031 0.83 SRR (0.47) LMNAANPEPCYP1A2CYP2D6PKM
SCHEMBL28435578 0.83 SRR (0.47) LMNAANPEPCYP1A2CYP2D6PKM
SCHEMBL375856 0.83 SRR (0.47) LMNAANPEPCYP1A2CYP2D6PKM
SCHEMBL29144119 0.80 CNR2 (0.46) LMNAMMP12KMT2ACNR2CYP1A2
SCHEMBL29046858 0.80 CPA1 (0.47) LMNAMMP12ANPEPERAP1ERAP2
SCHEMBL29046856 0.80 CPA1 (0.47) LMNAMMP12ANPEPERAP1ERAP2

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-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
WO-2016160677-A1 COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2016-10-06 WO disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed