SCHEMBL25564669

SCHEMBL25564669

C=C(C)C(=O)OC1(c2ccc(OC(F)(F)F)cc2)CCC(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.40
SLC6A3 Q01959 9/20 0.39
SLC6A2 P23975 2/20 0.36
EPHX2 P34913 2/20 0.34
PDE2A O00408 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
AMPD2 Q01433 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ICMT O60725 1/20 0.33
TGM2 P21980 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
SCHEMBL25564209 0.88 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2EPHX2PDE2A
SCHEMBL25564668 0.84 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2EPHX2PDE2A
SCHEMBL25564670 0.76 ADORA3 (0.41) SLC6A4SLC6A3SLC6A2PDE2ACYP3A4
SCHEMBL26396506 0.74 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2EPHX2PDE2A
SCHEMBL25564207 0.72 OPRM1 (0.36) SLC6A4SLC6A3SLC6A2PDE2ACYP2C19
SCHEMBL25564148 0.71 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2EPHX2PDE2A
SCHEMBL25564249 0.70 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2EPHX2PDE2A
SCHEMBL25564200 0.70 DRD2 (0.44) SLC6A3SLC6A2CYP2C19
SCHEMBL25564666 0.69 SLC6A3 (0.40) SLC6A4SLC6A3SLC6A2PDE2ACYP2C19
SCHEMBL25564653 0.67 HSD11B1 (0.41) SLC6A4SLC6A3SLC6A2

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
US-20230161254-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20230161254-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed