SCHEMBL9525464

SCHEMBL9525464

CC(C)(C)OC(=O)N(CCO)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BCL2A1 Q16548 1/20 0.41
F2 P00734 2/20 0.40
ROCK2 O75116 1/20 0.40
LIMK1 P53667 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
RIPK1 Q13546 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
TSHR P16473 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
SCHEMBL30797543 1.00 ALDH1A1 (0.43) ALDH1A1HTTRAB9ASMN1; SMN2BCL2A1
SCHEMBL7758742 0.88 ALDH1A1 (0.42) ALDH1A1HTTRAB9ASMN1; SMN2BCL2A1
SCHEMBL9525310 0.87 RXRA (0.42) ALDH1A1HTTRAB9ASMN1; SMN2BCL2A1
SCHEMBL10401421 0.84 MTNR1A (0.40) ALDH1A1F2MAPTLMNARIPK1
SCHEMBL20400038 0.84 BCL2A1 (0.44) ALDH1A1HTTRAB9ASMN1; SMN2BCL2A1
SCHEMBL3657533 0.83 MT-CO2 (0.46) BCL2A1F2ROCK2LIMK1ROCK1
SCHEMBL1624311 0.83 SMN1; SMN2 (0.51) ALDH1A1HTTSMN1; SMN2F2TSHR
SCHEMBL31464829 0.83 BCL2A1 (0.43) ALDH1A1HTTRAB9ASMN1; SMN2BCL2A1
SCHEMBL8943566 0.83 ALDH1A1 (0.42) ALDH1A1HTTRAB9ASMN1; SMN2BCL2A1
SCHEMBL30358877 0.83 BCL2A1 (0.43) ALDH1A1HTTRAB9ASMN1; SMN2BCL2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373814-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES Novartis AG (CH) 2024-05-29 EP disclosed
WO-2023002409-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2023-01-26 WO disclosed
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed