SCHEMBL7385236

SCHEMBL7385236

COC(=O)C(C(=O)O)C1C(=O)Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.41
HTR2A P28223 1/20 0.41
KMT2A Q03164 3/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL11732915 0.77 HTR2A (0.50) ANPEPHTR2AHDAC4HDAC7HDAC5
SCHEMBL20148794 0.73 HTR2A (0.56) ANPEPHTR2AHDAC4HDAC7HDAC5
SCHEMBL9853855 0.71 CYP1A2 (0.38) KMT2ATSHRALDH1A1CYP3A4LMNA
SCHEMBL1207850 0.71 HDAC4 (0.51) ANPEPHTR2AHDAC4HDAC7HDAC5
SCHEMBL10739890 0.70 ACP3 (0.47) HTR2AKMT2ATSHRMTNR1BNPSR1
SCHEMBL11967586 0.67 HTR2A (0.53) ANPEPHTR2AHDAC4HDAC7HDAC5
SCHEMBL6045078 0.66 ANPEP (0.53) ANPEPHTR2AHDAC4HDAC7HDAC5
SCHEMBL7397320 0.66 SLC6A3 (0.40) KMT2ATSHRALDH1A1KDM1ALMNA
SCHEMBL29229994 0.65 ESR1 (0.49) TSHRALDH1A1LMNAMTNR1BUSP2
SCHEMBL5794548 0.65 ANPEP (0.47) ANPEPHTR2AKMT2AHDAC4HDAC7

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-1194400-A1 2-AMINOINDANE ANALOGS Prescient Neuropharma Inc. (CA) 2002-04-10 EP disclosed
WO-2001002342-A1 2-AMINOINDANE ANALOGS IGT PHARMA INC. (CA) 2001-01-11 WO disclosed