SCHEMBL29543720

SCHEMBL29543720

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C(C)C)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 6/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 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
SCHEMBL6916459 1.00 CA1 (0.51) CA1CA12CA9KDM4EALDH1A1
Acetic Acid SCHEMBL29692755 0.98 CA1 (0.49) CA1CA12CA9KDM4EALDH1A1
SCHEMBL29543787 0.97 CA1 (0.53) CA1CA12CA9KDM4EALDH1A1
SCHEMBL2199089 0.92 CA12 (0.52) CA1CA12CA9KDM4EALDH1A1
SCHEMBL29419661 0.92 CA12 (0.52) CA1CA12CA9KDM4EALDH1A1
SCHEMBL17821546 0.92 CA12 (0.52) CA1CA12CA9KDM4EALDH1A1
SCHEMBL29543863 0.91 CA1 (0.53) CA1CA12CA9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11350984 0.90 CA1 (0.46) CA1CA12CA9KDM4EALDH1A1
SCHEMBL4817548 0.90 TDP1 (0.47) CA1CA12CA9KDM4EALDH1A1
SCHEMBL2334528 0.90 CA12 (0.45) CA1CA12CA9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12208107-B2 Method and compositions for the treatment of anemia through the inhibition of furin BRIGHAM YOUNG UNIVERSITY (US) 2025-01-28 US disclosed
US-11851697-B2 Ex vivo protease activity detection for disease detection/diagnostic, staging, monitoring and treatment GLYMPSE BIO, INC. (US) 2023-12-26 US disclosed
US-20230038724-A1 METHOD AND COMPOSITIONS FOR THE TREATMENT OF ANEMIA THROUGH THE INHIBITION OF FURIN BRIGHAM YOUNG UNIVERSITY 2023-02-09 US disclosed
US-11458148-B2 Method and compositions for the treatment of anemia through the inhibition of furin BRIGHAM YOUNG UNIVERSITY (US) 2022-10-04 US disclosed
US-20220128546-A1 EX VIVO PROTEASE ACTIVITY DETECTION FOR DISEASE DETECTION/DIAGNOSTIC, STAGING, MONITORING AND TREATMENT Sunbird Bio, Inc. 2022-04-28 US disclosed