SCHEMBL8672958

SCHEMBL8672958

COC(=O)c1cccc(NCC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
EGFR P00533 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 1/20 0.56
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 3/20 0.55
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
AGTR1 P30556 1/20 0.55
AKR1C3 P42330 1/20 0.54
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
TSHR P16473 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL134016 0.87 EGFR (0.57) RAB9AEGFRMAPK1HSD17B10POLB
SCHEMBL30353836 0.86 KMT2A (0.59) RAB9AMAPK1HSD17B10POLBALDH1A1
SCHEMBL14435084 0.86 KMT2A (0.59) RAB9AMAPK1HSD17B10POLBALDH1A1
SCHEMBL8569963 0.85 RAB9A (0.58) RAB9AEGFRMAPK1HSD17B10POLB
SCHEMBL18552696 0.84 POLB (0.68) RAB9AEGFRMAPK1HSD17B10POLB
SCHEMBL4604254 0.84 EGFR (0.54) RAB9AEGFRMAPK1HSD17B10POLB
SCHEMBL25174147 0.83 RAB9A (0.59) RAB9AEGFRMAPK1HSD17B10POLB
SCHEMBL30445248 0.83 RAB9A (0.59) RAB9AEGFRMAPK1HSD17B10POLB
SCHEMBL2635975 0.83 EGFR (0.53) RAB9AEGFRMAPK1HSD17B10POLB
SCHEMBL4605992 0.83 LOXL2 (0.55) RAB9AEGFRMAPK1HSD17B10POLB

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
WO-2022182845-A1 MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-09-01 WO disclosed
US-5783689-A Antibacterial and antifungal nucleosides UNIVERSITY OF NOTRE DAME (US) 1998-07-21 US disclosed