SCHEMBL24408993

SCHEMBL24408993

CCOC(=O)COc1cc(-c2ccc(F)cc2CC)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
POLB P06746 2/20 0.39
ADORA2A P29274 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC34A1 Q06495 1/20 0.36

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
SCHEMBL24409054 0.90 CXCR1 (0.43) CXCR1CXCR2POLBADORA2AKDM4E
SCHEMBL24408941 0.90 CXCR1 (0.41) CXCR1CXCR2POLBADORA2AKDM4E
SCHEMBL24409359 0.88 CXCR1 (0.43) CXCR1CXCR2POLBADORA2AKDM4E
SCHEMBL24409081 0.87 MAPT (0.44) POLBADORA2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL24408970 0.85 KDM4E (0.49) ADORA2AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL24409110 0.85 CXCR1 (0.48) CXCR1CXCR2POLBADORA2AKDM4E
SCHEMBL24419657 0.82 KDM4E (0.41) CXCR1CXCR2ADORA2AKDM4EALDH1A1
SCHEMBL24409164 0.82 ALDH1A1 (0.45) CXCR1CXCR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL24409330 0.81 MAPT (0.42) CXCR1CXCR2POLBKDM4EALDH1A1
SCHEMBL24409323 0.81 POLB (0.48) POLBKDM4EALDH1A1SMN1; SMN2GAA

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-2022096450-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed
WO-2022096448-A1 [(5-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed