SCHEMBL25976304

SCHEMBL25976304

COC(=O)CC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(OCc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
REN P00797 5/20 0.41
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
PPARA Q07869 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
AGTR1 P30556 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCL2 P10415 1/20 0.39
TACR3 P29371 1/20 0.39
AAK1 Q2M2I8 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
SCHEMBL31314669 1.00 PTPN1 (0.42) PTPN1RENKLK7KLK5PPARA
SCHEMBL22703470 1.00 PTPN1 (0.42) PTPN1RENKLK7KLK5PPARA
SCHEMBL31314662 0.92 AAK1 (0.38) PTPN1RENKLK7KLK5PPARA
SCHEMBL23323441 0.90 SYK (0.44) PTPN1PPARAMAPTALDH1A1NPSR1
Hydrochloric Acid SCHEMBL31314675 0.87 GHSR (0.42) TACR3AAK1MRGPRX4
Hydrochloric Acid SCHEMBL31314670 0.84 TACR3 (0.39) TACR3MRGPRX4
SCHEMBL2996643 0.83 POLB (0.51) MAPTALDH1A1LMNAPKMHPGD
SCHEMBL22703144 0.81 PPARG (0.44) PPARAMAPTNPSR1TACR3CTSS
SCHEMBL22703156 0.81 PPARG (0.44) PPARAMAPTNPSR1TACR3CTSS
SCHEMBL26045959 0.80 MRGPRX4 (0.43) PKMRAB9AMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151991-A1 RNAI AGENTS FOR INHIBITING INFLUENZA A VIRAL GENE EXPRESSION, COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2024-07-18 WO disclosed
WO-2023150622-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF CORONAVIRUS (COV) VIRAL GENOMES, COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2023-08-10 WO disclosed
WO-2023070082-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF MATRIX METALLOPROTEINASE 7(MMP7), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2023-04-27 WO disclosed