SCHEMBL22277482

SCHEMBL22277482

COCOc1c(I)cc(I)cc1C(=O)OC(C)(C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
GPR119 Q8TDV5 10/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PKM P14618 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL22277478 0.86 MAPT (0.39) DPP4GPR119KDM4EMAPTTHRB
SCHEMBL22277450 0.84 MAPT (0.42) DPP4GPR119KDM4EMAPTTHRB
SCHEMBL22277481 0.83 MAPT (0.41) GPR119KDM4EMAPTTHRBALDH1A1
SCHEMBL22277393 0.77 KDM4E (0.40) DPP4GPR119KDM4EMAPTTHRB
SCHEMBL24179407 0.76 DPP4 (0.35) DPP4GPR119KDM4EMAPTTHRB
SCHEMBL22277386 0.75 GPR119 (0.50) GPR119KDM4EALDH1A1PTPN2PTPN1
SCHEMBL24179609 0.73 DRD2 (0.31) ALDH1A1
SCHEMBL24179408 0.73 LMNA (0.37) DPP4GPR119
SCHEMBL22277387 0.72 GPR119 (0.49) GPR119KDM4EALDH1A1PTPN2PTPN1
SCHEMBL22277407 0.71 MEN1 (0.47) GPR119KDM4EMAPTTHRBPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200241417-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-30 US disclosed