SCHEMBL24944259

SCHEMBL24944259

CC(/C=C/c1ccc(Cl)cc1)C(=O)OC1(c2ccccc2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 1/20 0.39
MAOB P27338 2/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1B1 Q16678 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
DRD2 P14416 1/20 0.35
CYP1A2 P05177 1/20 0.34
MDM2 Q00987 1/20 0.33
MAOA P21397 1/20 0.33
EGFR P00533 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL24944241 0.82 MAOB (0.46) NOS2ATML3MBTL1MAOBLMNA
SCHEMBL24943746 0.79 OPRM1 (0.41) OPRM1LMNAMEN1KMT2APTGDR2
SCHEMBL26425372 0.78 NFE2L2 (0.37) OPRM1GAAHTTMEN1KMT2A
SCHEMBL26422989 0.77 PTGDR2 (0.39) OPRM1MAOBLMNAHTTMEN1
SCHEMBL24944576 0.77 OPRM1 (0.48) OPRM1PTGDR2
SCHEMBL24944641 0.77 OPRM1 (0.50) OPRM1
SCHEMBL24944853 0.77 OPRM1 (0.40) OPRM1PTGDR2DRD2
SCHEMBL26478765 0.76 OPRM1 (0.40) OPRM1PTGDR2DRD2MMP1MMP9
SCHEMBL26413266 0.76 OPRM1 (0.49) OPRM1
SCHEMBL25142153 0.75 DRD2 (0.45) ATMOPRM1GAADRD2MMP1

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-20230021453-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-01-26 US disclosed