SCHEMBL13306768

SCHEMBL13306768

CC1(C)Oc2ccccc2N(CC=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
PRTN3 P24158 1/20 0.44
GAA P10253 6/20 0.40
ALDH1A1 P00352 6/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALPL P05186 2/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.36
RECQL P46063 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL17027045 0.83 ALPL (0.49) ELANECTSGPRTN3GAAALDH1A1
SCHEMBL4970309 0.78 ALDH1A1 (0.48) ELANECTSGPRTN3GAAALDH1A1
SCHEMBL19527553 0.77 SCN9A (0.46) ELANECTSGPRTN3GAAALDH1A1
SCHEMBL19527738 0.77 REN (0.44) ELANECTSGPRTN3GAAALDH1A1
SCHEMBL20752194 0.77 ELANE (0.42) ELANECTSGPRTN3GAAALDH1A1
SCHEMBL4969646 0.74 POLB (0.61) GAAALDH1A1MEN1KMT2ATDP1
SCHEMBL14303476 0.74 MAPT (0.43) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL16362032 0.74 NISCH (0.52) ELANECTSGPRTN3ALDH1A1MAPT
SCHEMBL4755116 0.73 ELANE (0.50) ELANECTSGPRTN3ALDH1A1
SCHEMBL20752138 0.70 SLC9A1 (0.52) ELANECTSGPRTN3ALDH1A1NISCH

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
EP-2049532-B1 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMA (US) 2010-06-02 EP disclosed