SCHEMBL11354516

SCHEMBL11354516

CCCCC(C(=O)NC1CCCCC1)N1CC(=O)NCC(=O)NCC(=O)N(C(CCCC)C(=O)NC2CCCCC2)CC(=O)NCC(=O)NCC1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.41
EHMT2 Q96KQ7 1/20 0.39
EPHX1 P07099 9/20 0.36
CCR2 P41597 1/20 0.35
EPHX2 P34913 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 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
SCHEMBL11151604 0.84 TDP1 (0.47) TSHREPHX1EPHX2TDP1
SCHEMBL11153682 0.81 KDM4E (0.42) SIGMAR1L3MBTL1TSHREPHX2KMT2A
SCHEMBL11151594 0.79 TSHR (0.40) SIGMAR1L3MBTL1TSHRKMT2A
SCHEMBL11155528 0.75 CASP6 (0.38) TSHRKMT2A
SCHEMBL11149677 0.73 TSHR (0.56) TSHREPHX1TDP1KMT2A
SCHEMBL11149932 0.72 TSHR (0.44) L3MBTL1TSHREPHX1KMT2A
SCHEMBL974058 0.71 SIGMAR1 (1.00) SIGMAR1EPHX1EPHX2
SCHEMBL6324945 0.67 SIGMAR1 (0.58) SIGMAR1EPHX1CCR2EPHX2
SCHEMBL9825772 0.66 SIGMAR1 (0.57) SIGMAR1EPHX1EPHX2
SCHEMBL10103544 0.66 SIGMAR1 (0.57) SIGMAR1EPHX1EPHX2

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-4252795-A N-substituted dimeric cyclopeptide derivatives and preparation thereof AYERST MCKENNA AND HARRISON INC. (CA) 1981-02-24 US disclosed