SCHEMBL25564666

SCHEMBL25564666

C=C(C)C(=O)OC1(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 1/20 0.40
PDE2A O00408 4/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
APP P05067 1/20 0.35
BACE1 P56817 1/20 0.35
THRB P10828 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
SRD5A2 P31213 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL22006266 0.87 HSD11B1 (0.36) SLC6A2SRD5A2ALDH1A1HPGDMAPT
SCHEMBL22017327 0.86 SMN1; SMN2 (0.37) SLC6A2SRD5A2ALDH1A1HPGDMAPT
SCHEMBL25564144 0.85 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2PDE2AOPRM1
SCHEMBL25564245 0.84 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2PDE2AOPRM1
SCHEMBL25564653 0.84 HSD11B1 (0.41) SLC6A3SLC6A4SLC6A2OPRM1ALDH1A1
SCHEMBL25564667 0.83 HSD11B1 (0.43) SLC6A3SLC6A4SLC6A2OPRM1ALDH1A1
SCHEMBL25564668 0.83 SLC6A4 (0.47) SLC6A3SLC6A4SLC6A2PDE2AKDM4E
SCHEMBL10062522 0.82 CA1 (0.38) SLC6A3SLC6A2OPRM1KDM4EALDH1A1
SCHEMBL25698983 0.82 ESR2 (0.42) ALDH1A1HPGDHSD17B10MAPTHTT
SCHEMBL25564670 0.82 ADORA3 (0.41) SLC6A3SLC6A4SLC6A2PDE2ACYP2C19

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