SCHEMBL8658709

SCHEMBL8658709

CC(=O)NC[C@H]1C=C(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
GAA P10253 2/20 0.43
POLB P06746 3/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NEK1 Q96PY6 1/20 0.38

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
SCHEMBL13855694 0.86 GFER (0.44) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8656943 0.86 LMNA (0.47) MAPTRAB9ASMN1; SMN2POLBKDM4E
SCHEMBL8654289 0.85 LMNA (0.46) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL8643569 0.84 CTSL (0.39) ALDH1A1TSHRUSP2HSD17B10
SCHEMBL8656349 0.84 MAOA (0.47) MAPTKMT2AALDH1A1
SCHEMBL8655270 0.84 ALDH1A1 (0.48) MAPTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL8657602 0.84 AKR1C3 (0.42) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL8656553 0.82 HTR2A (0.47) MAPTALDH1A1TSHRHTT
SCHEMBL8642619 0.81 ALDH1A1 (0.38) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL8654828 0.81 ALDH1A1 (0.38) MAPTSMN1; SMN2MEN1KMT2APOLB

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
EP-0858453-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 1998-08-19 EP disclosed
WO-1997014690-A1 5-(ACETAMIDOMETHYL)-3-ARYLDIHYDROFURAN-2-ONE AND TETRAHYDROFURAN-2-ONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZENECA LIMITED (GB) 1997-04-24 WO disclosed