SCHEMBL25564670

SCHEMBL25564670

C=C(C)C(=O)OC1(c2ccc(OC(C)(F)F)cc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
SLC6A4 P31645 9/20 0.38
SLC6A3 Q01959 8/20 0.38
SLC6A2 P23975 2/20 0.38
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ELANE P08246 1/20 0.33
RORC P51449 1/20 0.32
KMT2A Q03164 3/20 0.31
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31
PDE2A O00408 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL25564668 0.91 SLC6A4 (0.47) ADORA3SLC6A4SLC6A3SLC6A2CYP3A4
SCHEMBL25564666 0.82 SLC6A3 (0.40) SLC6A4SLC6A3SLC6A2CYP2C19KMT2A
SCHEMBL22017327 0.82 SMN1; SMN2 (0.37) ADORA3SLC6A2KMT2AMAPTHTT
SCHEMBL25564667 0.81 HSD11B1 (0.43) SLC6A4SLC6A3SLC6A2MAPT
SCHEMBL22006266 0.80 HSD11B1 (0.36) SLC6A2KMT2AMAPTHTTMEN1
SCHEMBL10062521 0.80 CA1 (0.38) ELANEKMT2AMAPTXBP1HTT
SCHEMBL25564653 0.80 HSD11B1 (0.41) SLC6A4SLC6A3SLC6A2MAPT
SCHEMBL17914408 0.79 HRH3 (0.35) ELANEKMT2AMEN1
SCHEMBL25960357 0.79 OPRM1 (0.34) ELANE
SCHEMBL4903380 0.79 HSD11B1 (0.41) SLC6A4SLC6A3SLC6A2MAPT

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