SCHEMBL6223610

SCHEMBL6223610

CC(C)CN(C(=O)c1ccccc1)C(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HRH1 P35367 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ TRPM8 Q7Z2W7 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MLYCD O95822 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 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
SCHEMBL15903903 0.82 MLYCD (0.38) MLYCDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL28134248 0.81 KMT2A (0.54) ALDH1A1ATMPOLBHSD17B10
SCHEMBL30059761 0.81 KMT2A (0.54) ALDH1A1ATMPOLBHSD17B10
SCHEMBL9461917 0.79 HPGD (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL9461916 0.79 HPGD (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8174284 0.78 ALDH1A1 (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL1004360 0.78 MLYCD (0.62) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL1003650 0.77 NAMPT (0.55) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL23791942 0.76 HTR1A (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL4842545 0.75 TRPM8 (0.43) TRPM8ALDH1A1POLBBRD4TSHR

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-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 — — EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 — — WO disclosed
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