SCHEMBL22928680

SCHEMBL22928680

OC[C@H](O)CCNCC(F)F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 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
SCHEMBL26968829 0.80 THRB (0.53) THRBALDH1A1LMNA
SCHEMBL8224176 0.75
SCHEMBL735364 0.72 THRB (0.36) THRBALDH1A1LMNA
SCHEMBL735390 0.72 THRB (0.36) THRBALDH1A1LMNA
SCHEMBL735363 0.72 THRB (0.36) THRBALDH1A1LMNA
SCHEMBL4286914 0.72
SCHEMBL8841215 0.71 LMNA (0.38) THRBALDH1A1LMNA
SCHEMBL17833166 0.70 THRB (0.42) THRBALDH1A1LMNA
SCHEMBL19708220 0.70 THRB (0.42) THRBALDH1A1LMNA
SCHEMBL26894517 0.70 CA12 (0.48) THRBALDH1A1LMNAPKM

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
EP-3380101-B1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS INC (US) 2021-01-27 EP disclosed