SCHEMBL22601800

SCHEMBL22601800

COc1cc(OCC(=O)O)ccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.60
LMNA P02545 1/20 0.53
AGER Q15109 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.51
PPARD Q03181 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MCL1 Q07820 1/20 0.47
PTPN7 P35236 1/20 0.46
PTPN1 P18031 1/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL29689584 1.00 MRGPRX4 (0.60) MRGPRX4LMNAAGERPTGDR2PPARD
SCHEMBL4640545 0.87 SMN1; SMN2 (0.55) MRGPRX4LMNAPTGDR2SMN1; SMN2POLB
SCHEMBL22602085 0.82 MCL1 (0.60) LMNAAGERPPARDSMN1; SMN2HSD17B10
SCHEMBL3176485 0.81 LMNA (0.62) LMNASMN1; SMN2POLBTSHRHSD17B10
SCHEMBL17896566 0.81 SMN1; SMN2 (0.55) LMNAAGERPTGDR2PPARDSMN1; SMN2
SCHEMBL22346861 0.80 AGER (0.56) LMNAAGERPPARDSMN1; SMN2TSHR
SCHEMBL29689327 0.80 AGER (0.56) LMNAAGERPPARDSMN1; SMN2TSHR
SCHEMBL5397033 0.80 POLB (0.64) LMNAPTGDR2PPARDSMN1; SMN2POLB
SCHEMBL4640602 0.79 MRGPRX4 (0.57) MRGPRX4LMNAAGERPTGDR2PPARD
SCHEMBL5543083 0.79 MCL1 (0.56) LMNAAGERPPARDSMN1; SMN2POLB

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-2020216766-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2020-10-29 WO disclosed