SCHEMBL7680702

SCHEMBL7680702

CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](C(=O)O)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.61
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 2/20 0.42
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
ANPEP P15144 1/20 0.40
ACACB O00763 5/20 0.40
ACACA Q13085 3/20 0.40
DRD2 P14416 2/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7246825 1.00 BTK (0.61) BTKKMT2ASMN1; SMN2EPHX1CTSS
SCHEMBL5262829 1.00 BTK (0.61) BTKKMT2ASMN1; SMN2EPHX1CTSS
SCHEMBL8141945 1.00 BTK (0.61) BTKKMT2ASMN1; SMN2EPHX1CTSS
SCHEMBL4354977 0.91 KMT2A (0.60) BTKKMT2ASMN1; SMN2EPHX1CTSS
SCHEMBL4346477 0.91 KMT2A (0.60) BTKKMT2ASMN1; SMN2EPHX1CTSS
SCHEMBL6641586 0.91 KMT2A (0.60) BTKKMT2ASMN1; SMN2EPHX1CTSS
SCHEMBL6641585 0.91 KMT2A (0.60) BTKKMT2ASMN1; SMN2EPHX1CTSS
SCHEMBL25036375 0.89 KMT2A (0.64) BTKKMT2ASMN1; SMN2EPHX1CTSS
SCHEMBL6647123 0.88 EPHX1 (0.48) BTKKMT2AEPHX1CTSSCTSK
SCHEMBL5507221 0.87 BTK (0.46) BTKKMT2ASMN1; SMN2EPHX1CTSS

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-6489327-B1 TREATING A DISEASE SUSCEPTIBLE TO TRYPTASE INHIBITION SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS OR RHINITIS MAX-PLANCK-GESELLSCHAFT ZUR FORDRUNGDER WISENSCHAFTEN, E.V. (DE) 2002-12-03 US disclosed