SCHEMBL21087343

SCHEMBL21087343

C=C(C)COc1ccc(Cl)cc1-c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.52
HTR2B P41595 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KCNH2 Q12809 1/20 0.43
KMT2A Q03164 4/20 0.43
AGPAT2 O15120 1/20 0.43
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
SYK P43405 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL22591956 0.77 TDP1 (0.62) HTR2BHTR2AHTR2CLMNAMAPT
SCHEMBL14785507 0.76 MAPT (0.65) PTGDR2HTR2BHTR2AHTR2CLMNA
SCHEMBL19498479 0.75 PTGDR2 (0.51) PTGDR2HTR2BHTR2AHTR2CLMNA
SCHEMBL10093048 0.75 AGPAT2 (0.57) LMNAKDM4EKMT2AAGPAT2MEN1
SCHEMBL220452 0.75 NPC1 (0.59) PTGDR2HTR2BHTR2AHTR2CMAPT
SCHEMBL19282854 0.74 PTGDR2 (0.52) PTGDR2HTR2BHTR2AHTR2CMAPT
SCHEMBL28542896 0.74 HTR2B (0.51) PTGDR2HTR2BHTR2AHTR2CMAPT
SCHEMBL1006487 0.74 NPC1 (0.52) HTR2BHTR2AHTR2CLMNAMAPT
SCHEMBL30451996 0.74 NPC1 (0.52) HTR2BHTR2AHTR2CLMNAMAPT
SCHEMBL4232630 0.74 HTR2B (0.51) PTGDR2HTR2BHTR2AHTR2CKCNH2

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-3191445-B1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-12 EP disclosed