SCHEMBL5312646

SCHEMBL5312646

CC(=O)N1CCC2(CC1)CC(=O)c1cc(C(=O)O)ccc1O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.62
HDAC4 P56524 6/20 0.62
HDAC1 Q13547 6/20 0.62
HDAC7 Q8WUI4 6/20 0.62
HDAC2 Q92769 6/20 0.62
HDAC10 Q969S8 6/20 0.62
HDAC11 Q96DB2 6/20 0.62
HDAC8 Q9BY41 6/20 0.62
HDAC6 Q9UBN7 6/20 0.62
HDAC9 Q9UKV0 6/20 0.62
HDAC5 Q9UQL6 6/20 0.62
ALDH1A1 P00352 9/20 0.61
KDM4E B2RXH2 8/20 0.61
GAA P10253 6/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HPGD P15428 6/20 0.60
CASP1 P29466 5/20 0.60
HSD17B10 Q99714 5/20 0.60
GLA P06280 6/20 0.59
CASP7 P55210 2/20 0.59

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
SCHEMBL732843 0.90 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14494711 0.88 ALDH1A1 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14494591 0.86 ALDH1A1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4518944 0.85 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL309010 0.84 KMT2A (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11107382 0.83 KDM4E (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8914017 0.82 EPHX2 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5316847 0.82 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2127507 0.82 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2127498 0.82 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2

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
WO-2007063385-A2 SPIROCYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-06-07 WO disclosed
WO-2007063385-A2 SPIROCYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-06-07 WO disclosed