SCHEMBL13149031

SCHEMBL13149031

OC(Cc1coc(-c2cc(C(F)(F)F)ccc2Cl)n1)=C1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 3/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
AGPAT2 O15120 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 1/20 0.33
JAK2 O60674 1/20 0.32
PDE2A O00408 1/20 0.32
IL2 P60568 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MAPT P10636 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL866323 0.85 EIF4E (0.43) EIF4ECTSSCTSKAGPAT2FFAR4
SCHEMBL10029592 0.66 AGPAT2 (0.42) EIF4EAGPAT2SMN1; SMN2ALDH1A1MAPT
SCHEMBL629227 0.64 EIF4E (0.53) EIF4EHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL19785385 0.64 PDE2A (0.47) CTSSCTSKKDM1APDE2AIL2
SCHEMBL29859465 0.64 KDM1A (0.41) CTSSCTSKAGPAT2FFAR4SMN1; SMN2
SCHEMBL28620228 0.62 NR4A2 (0.48) SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL628790 0.61 NOTUM (0.49) EIF4ECTSSCTSKKMT2ALMNA
SCHEMBL628795 0.61 RXRA (0.49) KMT2APPARGPPARALMNA
SCHEMBL16629821 0.60 CTSS (0.47) EIF4ECTSSCTSKAGPAT2KDM1A
SCHEMBL5901540 0.60 PPARG (0.46) ALDH1A1PPARGPPARALMNA

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-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 WO disclosed