SCHEMBL6070193

SCHEMBL6070193

CCC1C(=O)C(CC(=O)O)(C(=O)OC)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
MAPT P10636 3/20 0.34
EGFR P00533 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1B1 P15121 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 2/20 0.32
FFAR1 O14842 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7385232 0.70 ALDH1A1 (0.50) HTTMAPTL3MBTL1AKR1B1MEN1
SCHEMBL9853856 0.69 ALDH1A1 (0.41) HTTMAPTAKR1B1MEN1KMT2A
SCHEMBL9384409 0.68 CA12 (0.39) MAPTAKR1B1MEN1KMT2AALDH1A1
SCHEMBL9383419 0.68 PGR (0.39) MAPTAKR1B1MEN1KMT2AALDH1A1
SCHEMBL9388117 0.67 ALDH1A1 (0.40) MEN1KMT2AALDH1A1FFAR1TP53
SCHEMBL9385854 0.65 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
Bicarbonate SCHEMBL11083414 0.64 CES2 (0.40) MAPTEGFRL3MBTL1ADORA3MEN1
SCHEMBL30972518 0.63 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL15691695 0.62 ALDH1A1 (0.46) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL17051237 0.62 ALDH1A1 (0.46) HTTMAPTMEN1KMT2AALDH1A1

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-7034055-B1 2-aminoindane analogs PRESCIENT NEUROPHARMA INC. (CA) 2006-04-25 US disclosed