SCHEMBL10673554

SCHEMBL10673554

COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H]1C=Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.59
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL10680846 1.00 AVPR1A (0.59) AVPR1AALDH1A1GAANPC1RAB9A
SCHEMBL10674647 0.88 AVPR1A (0.55) AVPR1APOLBMEN1KMT2A
SCHEMBL10672540 0.88 AVPR1A (0.55) AVPR1APOLBMEN1KMT2A
SCHEMBL10674633 0.88 AVPR1A (0.55) AVPR1APOLBMEN1KMT2A
SCHEMBL10672548 0.88 AVPR1A (0.55) AVPR1APOLBMEN1KMT2A
SCHEMBL10671321 0.88 AVPR1A (0.55) AVPR1APOLBMEN1KMT2A
SCHEMBL10671312 0.88 AVPR1A (0.55) AVPR1APOLBMEN1KMT2A
SCHEMBL10673865 0.87 AVPR1A (0.54) AVPR1AALDH1A1MEN1KMT2A
SCHEMBL10671917 0.87 AVPR1A (0.53) AVPR1AMEN1KMT2A
SCHEMBL10671912 0.87 AVPR1A (0.53) AVPR1AMEN1KMT2A

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-4751299-A Optically active β-lactams and method of their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-06-14 US claimed