SCHEMBL24036736

SCHEMBL24036736

COC(=O)CC(N[S@+]([O-])C(C)(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.34
ALDH1A1 P00352 1/20 0.34
EEF2K O00418 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPT P10636 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
CETP P11597 2/20 0.32
CTSA P10619 1/20 0.32
GPR35 Q9HC97 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL25622767 1.00 TACR1 (0.34) TACR1ALDH1A1EEF2KNOTUMMAPT
SCHEMBL25753566 1.00 TACR1 (0.34) TACR1ALDH1A1EEF2KNOTUMMAPT
SCHEMBL24036739 0.93 CXCR2 (0.36) ALDH1A1EEF2KMAPTCETPCTSA
SCHEMBL24036735 0.93 CETP (0.32) TACR1ALDH1A1EEF2KNOTUMCETP
SCHEMBL25753551 0.93 CETP (0.32) TACR1ALDH1A1EEF2KNOTUMCETP
SCHEMBL24036737 0.93 CXCR2 (0.36) TACR1ALDH1A1EEF2KNOTUMMAPT
SCHEMBL25753562 0.93 CXCR2 (0.36) ALDH1A1EEF2KMAPTCETPCTSA
SCHEMBL25753553 0.93 CXCR2 (0.36) TACR1ALDH1A1EEF2KNOTUMMAPT
SCHEMBL30388831 0.92 SLC13A3 (0.35) EEF2KMAPTCETPCTSAGPR35
SCHEMBL25753540 0.92 SLC13A3 (0.35) EEF2KMAPTCETPCTSAGPR35

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
WO-2021230325-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE 宇部興産株式会社 2021-11-18 WO disclosed