SCHEMBL18862363

SCHEMBL18862363

CC(C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CC1(N)CN1)C(=O)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 5/20 0.55
▸ ERAP2 Q6P179 1/20 0.51
▸ KISS1R Q969F8 4/20 0.51
▸ MMP2 P08253 9/20 0.50
▸ MMP1 P03956 2/20 0.50
▸ MMP9 P14780 8/20 0.49
▸ MMP8 P22894 7/20 0.49
▸ ADAM10 O14672 1/20 0.49
▸ ADAM12 O43184 1/20 0.49
▸ ADAMTS4 O75173 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP7 P09237 1/20 0.49
▸ MMP12 P39900 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ MMP14 P50281 1/20 0.49
▸ MMP15 P51511 1/20 0.49
▸ MMP16 P51512 1/20 0.49
▸ ADAM17 P78536 1/20 0.49
▸ ADAM9 Q13443 1/20 0.49
▸ MMP26 Q9NRE1 1/20 0.49

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
SCHEMBL18857607 0.82 ECE1 (0.64) ECE1ERAP2
SCHEMBL18862464 0.82 GHSR (0.62) ECE1KISS1RGHSR
SCHEMBL18862366 0.78 GHSR (0.60) ECE1KISS1RGHSR
SCHEMBL15791257 0.77 ACE (0.62) ECE1ERAP2
SCHEMBL15692398 0.76 ECE1 (0.68) ECE1ERAP2MMP2MMP1MMP9
SCHEMBL22042954 0.76 ECE1 (0.69) ECE1ERAP2MMP2MMP1MMP9
SCHEMBL22042951 0.76 ECE1 (0.69) ECE1ERAP2MMP2MMP1MMP9
SCHEMBL23370296 0.76 ECE1 (0.51) ECE1ERAP2KISS1RMMP2MMP1
SCHEMBL15692405 0.74 ECE1 (0.71) ECE1ERAP2
SCHEMBL9822645 0.74 ECE1 (0.68) ECE1ERAP2MMP2MMP1MMP9

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-20170137801-A1 TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-05-18 — — US disclosed
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