SCHEMBL3399523

SCHEMBL3399523

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 8/20 0.41
HPGD P15428 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 4/20 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
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 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
SCHEMBL29543873 1.00 CA1 (0.50) CA1CA12CA9ALDH1A1HPGD
Hydrochloric Acid SCHEMBL29692735 0.99 CA1 (0.49) CA1CA12CA9ALDH1A1HPGD
SCHEMBL29543892 0.96 CA1 (0.54) CA1CA12CA9ALDH1A1HPGD
SCHEMBL3398064 0.96 CA1 (0.54) CA1CA12CA9ALDH1A1HPGD
SCHEMBL11215355 0.91 CA1 (0.49) CA1CA12CA9ALDH1A1HPGD
SCHEMBL2430187 0.89 CA12 (0.45) CA1CA12CA9ALDH1A1HPGD
SCHEMBL31046113 0.88 RAB9A (0.44) ALDH1A1HPGDKDM4EHSD17B10MEN1
Hydrochloric Acid SCHEMBL11470385 0.88 CA1 (0.50) CA1CA12CA9ALDH1A1HPGD
SCHEMBL29544027 0.88 CA1 (0.50) CA1CA12CA9ALDH1A1HPGD
SCHEMBL29543863 0.87 CA1 (0.53) CA1CA12CA9ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601764-B1 A CLASS OF METACASPASES VIB VZW (BE) 2010-04-28 EP disclosed
US-20060029995-A1 Novel class of metacaspases VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2006-02-09 US disclosed
EP-0910658-A4 PROTEIN EXPRESSION SYSTEM TECHNOLOGENE INC (US) 2003-02-12 EP disclosed
US-5935824-A FUSION PROTEIN HAVING DOMAINS COMPRISING PROTEIN OF INTEREST, HYDROPHILLIC SPACER, ENDOPROTEASE (CARBOXYPEPTIDASE) RECOGNITION SEQUENCE, AND AFFINITY DOMAIN; FOR GENETICALLY ENGINEERED PRODUCTION; PURIFICATION USING AFFINITY DOMAIN TECHNOLOGENE, INC. (US) 1999-08-10 US disclosed
EP-0910658-A1 PROTEIN EXPRESSION SYSTEM Technologene Inc. (US) 1999-04-28 EP disclosed
WO-1997028272-A9 PROTEIN EXPRESSION SYSTEM 1997-10-30 WO disclosed
WO-1997028272-A1 PROTEIN EXPRESSION SYSTEM TECHNOLOGENE INC. (US) 1997-08-07 WO disclosed