SCHEMBL637174

SCHEMBL637174

CC(=O)OC(OC(=O)NCCCC(=O)Oc1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP8 P22894 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
FAAH O00519 1/20 0.35
LIPE Q05469 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL916413 0.99 EPHX2 (0.36) EPHX2ADAMTS4MMP8ADAMTS5TAAR1
SCHEMBL917465 0.90 ADAMTS4 (0.38) EPHX2ADAMTS4MMP8ADAMTS5FAAH
SCHEMBL636929 0.90 ADAMTS4 (0.38) EPHX2ADAMTS4MMP8ADAMTS5TAAR1
SCHEMBL637343 0.89 ADAMTS4 (0.37) EPHX2ADAMTS4MMP8ADAMTS5FAAH
SCHEMBL2231584 0.81 TAAR1 (0.41) TAAR1KMT2ATDP1LMNALIPE
SCHEMBL640972 0.80 TAAR1 (0.41) TAAR1KMT2ATDP1LMNALIPE
SCHEMBL640478 0.79 KMT2A (0.36) EPHX2ADAMTS4MMP8ADAMTS5TAAR1
SCHEMBL2230591 0.79 KMT2A (0.42) TAAR1KMT2ATDP1LMNALIPE
SCHEMBL916227 0.78 EPHX2 (0.36) EPHX2ADAMTS4MMP8ADAMTS5TAAR1
SCHEMBL916877 0.78 KMT2A (0.41) TAAR1KMT2ATDP1LMNALIPE

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-1660440-B1 ACYLOXYALKYL CARBAMATE PRODRUGS, METHODS OF SYNTHESIS AND USE XENOPORT INC (US) 2012-02-22 EP disclosed