SCHEMBL11215355

SCHEMBL11215355

Cc1cc(=O)oc2cc(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
SIRT5 Q9NXA8 1/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 6/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CA2 P00918 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
HDAC4 P56524 2/20 0.39

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
SCHEMBL29543863 0.96 CA1 (0.53) CA1CA12CA9SIRT5KDM4E
SCHEMBL29389269 0.93 CA1 (0.49) CA1CA12CA9SIRT5KDM4E
SCHEMBL2143298 0.93 CA1 (0.49) CA1CA12CA9SIRT5KDM4E
Hydrochloric Acid SCHEMBL29692699 0.93 CA1 (0.49) CA1CA12CA9SIRT5KDM4E
Hydrochloric Acid SCHEMBL860765 0.93 CA1 (0.49) CA1CA12CA9SIRT5KDM4E
SCHEMBL29544027 0.91 CA1 (0.50) CA1CA12CA9SIRT5KDM4E
SCHEMBL3399523 0.91 CA1 (0.50) CA1CA12CA9SIRT5KDM4E
SCHEMBL29543873 0.91 CA1 (0.50) CA1CA12CA9SIRT5KDM4E
Hydrochloric Acid SCHEMBL29692735 0.90 CA1 (0.49) CA1CA12CA9SIRT5KDM4E
Hydrochloric Acid SCHEMBL29692762 0.90 CA1 (0.49) CA1CA12CA9SIRT5KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57075958-A None JP disclosed
JP-S5775958-A PEPTIDE COMPOUND TORII YAKUHIN KK 1982-05-12 JP disclosed