SCHEMBL10690217

SCHEMBL10690217

O=CCc1ccc2c(c1)CCCN2CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
CASP1 P29466 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CASP7 P55210 1/20 0.49
SMAD3 P84022 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MGAT2 Q10469 1/20 0.43
GLA P06280 1/20 0.43
RORC P51449 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 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
SCHEMBL10690298 0.90 HRH3 (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10686597 0.87 ACHE (0.50) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10691421 0.85 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10684164 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9597526 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10685760 0.78 HRH3 (0.50) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10690035 0.76 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10684229 0.76 PPARG (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10686960 0.73 MTNR1A (0.48)
SCHEMBL3617729 0.72 NR1H3 (0.57) ALDH1A1MEN1KMT2AGAAMAPT

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
US-4738972-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1988-04-19 US disclosed