SCHEMBL8027271

SCHEMBL8027271

CC(C)(C)OC(=O)NCC1CCC(CNC(CC(=O)O)C(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
ACACB O00763 7/20 0.45
ACACA Q13085 3/20 0.45
ATM Q13315 2/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MEN1 O00255 2/20 0.42
DRD2 P14416 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
GAA P10253 1/20 0.40

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
Bicarbonate SCHEMBL1580718 0.81 KMT2A (0.57) KMT2AACACBACACACTSSCTSK
SCHEMBL3816616 0.81 KMT2A (0.56) KMT2AACACBACACACTSSCTSK
SCHEMBL3942686 0.81 KMT2A (0.56) KMT2AACACBACACACTSSCTSK
SCHEMBL4377073 0.81 KMT2A (0.56) KMT2AACACBACACACTSSCTSK
SCHEMBL190838 0.81 KMT2A (0.56) KMT2AACACBACACACTSSCTSK
SCHEMBL21242136 0.81 CA2 (0.38)
SCHEMBL8027222 0.81 KMT2A (0.47) KMT2AACACBACACAATMCTSS
SCHEMBL30524563 0.80 CA2 (0.37)
SCHEMBL7818584 0.79 KMT2A (0.52) KMT2AACACBACACACTSSCTSK
SCHEMBL20855847 0.79 KMT2A (0.52) KMT2AACACBACACACTSSCTSK

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-0763016-B1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS AXYS PHARM INC (US) 2000-01-26 EP disclosed
US-5656660-A AMINE OR GUANIDINE GROUP-CONTAINING TRYPTASE INHIBITOR ARRIS PHARMACEUTICAL CORPORATION (US) 1997-08-12 US disclosed