SCHEMBL27490478

SCHEMBL27490478

CCOC(=O)CN1CCc2cc(C(=O)O)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CD274 Q9NZQ7 2/20 0.47
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
TNF P01375 1/20 0.41
RAB9A P51151 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL27492242 0.85 CA9 (0.50) ALDH1A1MAPTHSD17B10KDM4ETSHR
SCHEMBL24109370 0.84 CARM1 (0.50) ALDH1A1MAPTHSD17B10KDM4ETSHR
SCHEMBL20178641 0.83 ALDH1A1 (0.51) ALDH1A1ITGB3ITGA2BPOLBMEN1
SCHEMBL7788367 0.83 ITGB3 (0.58) ALDH1A1KDM4ECD274ITGB3ITGA2B
SCHEMBL7128888 0.82 ESR1 (0.51) ALDH1A1MAPTKDM4ECD274MEN1
SCHEMBL7399072 0.81 MAPT (0.61) ALDH1A1MAPTHSD17B10KDM4ETSHR
Hydrochloric Acid SCHEMBL8824760 0.80 MAPT (0.60) ALDH1A1MAPTHSD17B10KDM4ETSHR
SCHEMBL3604547 0.80 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7299565 0.79 NR1H2 (0.44) ALDH1A1MAPTHSD17B10KDM4ETSHR
SCHEMBL3910177 0.79 NR1H2 (0.49) ALDH1A1MAPTHSD17B10KDM4ETSHR

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
CN-1209063-A Vitronection receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed