SCHEMBL11041895

SCHEMBL11041895

CCc1ccc(CC(=O)O)cc1CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
HSD17B10 Q99714 6/20 0.53
KDM4E B2RXH2 5/20 0.53
GAA P10253 5/20 0.53
TSHR P16473 4/20 0.53
MAPT P10636 3/20 0.53
NFKB1 P19838 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 2/20 0.53
RGS12 O14924 1/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
GNAI1 P63096 1/20 0.53
PMP22 Q01453 1/20 0.53
HIF1A Q16665 1/20 0.53
ALDH1A1 P00352 7/20 0.51
PTGS1 P23219 2/20 0.49
AKR1C3 P42330 1/20 0.49

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
SCHEMBL31254084 0.86 ALDH1A1 (0.45) HPGDHSD17B10KDM4EGAATSHR
SCHEMBL510145 0.86 ALDH1A1 (0.45) HPGDHSD17B10KDM4EGAATSHR
SCHEMBL15165881 0.86 ALDH1A1 (0.64) HPGDHSD17B10KDM4EGAATSHR
SCHEMBL20045097 0.84 HPGD (0.50) HPGDHSD17B10KDM4EGAATSHR
SCHEMBL12125341 0.84 HPGD (0.66) HPGDHSD17B10KDM4EGAATSHR
SCHEMBL1173033 0.83 GAA (0.57) HPGDHSD17B10KDM4EGAATSHR
SCHEMBL27999728 0.82 IAPP (0.41) HPGDHSD17B10KDM4EGAATSHR
SCHEMBL4683962 0.82 CA2 (0.50) HPGDKDM4ENFKB1LMNAPOLB
SCHEMBL4683959 0.82 DHFR (0.38) HPGDHSD17B10KDM4EGAATSHR
SCHEMBL3668067 0.80 FFAR1 (0.52) HSD17B10LMNAALDH1A1

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-0116444-A2 Improvements in or relating to benzazepine derivatives ELI LILLY AND COMPANY (US) 1984-08-22 EP disclosed