SCHEMBL31301807

SCHEMBL31301807

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 6/20 0.46
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 3/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
RAB9A P51151 4/20 0.39
TERT O14746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL11350787 1.00 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11345815 0.90 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11349683 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL29385965 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL29430364 0.88 CA12 (0.43) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL3362855 0.88 CA12 (0.43) KDM4EALDH1A1HPGDHSD17B10KMT2A
Hydrochloric Acid SCHEMBL15380918 0.88 CA12 (0.43) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11352441 0.87 CA12 (0.42) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11352449 0.87 CA12 (0.42) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11345287 0.86 NPY4R (0.42) KDM4EALDH1A1HPGDHSD17B10KMT2A

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
CN-114585637-B MASP-inhibitory compounds and uses thereof 拜耳公司 2025-04-15 CN disclosed
CN-119278042-A Chymase inhibitors for selective dissolution of thrombi in thrombotic or thromboembolic disorders 索克普拉健康与人文科学公司 2025-01-07 CN disclosed