SCHEMBL22928474

SCHEMBL22928474

CC(O)(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.48
TRPV6 Q9H1D0 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ORAI1 Q96D31 1/20 0.48
ORAI2 Q96SN7 1/20 0.48
ORAI3 Q9BRQ5 1/20 0.48
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
PLAU P00749 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
SRD5A2 P31213 1/20 0.41

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
SCHEMBL2375798 0.85 MEN1 (0.48) ALDH1A1TSHR
SCHEMBL1536352 0.83 KIF11 (0.48) KIF11TRPV6CES2CES1ORAI1
SCHEMBL27973991 0.83 KIF11 (0.48) KIF11TRPV6CES2CES1ORAI1
SCHEMBL20149638 0.82 ALDH1A1 (0.50) KIF11TRPV6CES2CES1ORAI1
SCHEMBL677817 0.79 ALDH1A1 (0.53) KIF11TRPV6CES2CES1ORAI1
SCHEMBL3239844 0.79 KIF11 (0.44) KIF11TRPV6CES2CES1ORAI1
SCHEMBL13644373 0.79 ESR1 (0.58)
SCHEMBL63468 0.78 ALDH1A1 (0.67) KIF11TRPV6CES2CES1ORAI1
SCHEMBL8071364 0.78 HSD11B1 (0.52) TRPV6ORAI1ORAI2ORAI3ALDH1A1
SCHEMBL14703793 0.77 ALDH1A1 (0.50) KIF11TRPV6CES2CES1ORAI1

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
EP-3888658-A1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO Effector Therapeutics Inc. (US) 2021-10-06 EP disclosed
EP-3380101-B1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS INC (US) 2021-01-27 EP disclosed