SCHEMBL30254635

SCHEMBL30254635

NCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.50
PLG P00747 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ST14 Q9Y5Y6 1/20 0.47
FURIN P09958 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA2B P08514 1/20 0.45
KLK5 Q9Y337 5/20 0.44
ALB P02768 1/20 0.44
MEN1 O00255 2/20 0.44
APLNR P35414 1/20 0.44
CHRNA7 P36544 1/20 0.43
TEAD4 Q15561 1/20 0.43
TEAD3 Q99594 1/20 0.43
SLC40A1 Q9NP59 2/20 0.43

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
SCHEMBL31741400 0.77 APLNR (0.59) ITGB3ITGAVITGA2BAPLNRTEAD4
SCHEMBL29373065 0.75 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL30211672 0.73 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL30524414 0.71 PLG (0.57) PLGITGB3ITGAVITGA2BKLK5
SCHEMBL29885510 0.69 ITGAV (0.54) ST14ITGB3ITGAVITGA2B
SCHEMBL12228287 0.69 SMN1; SMN2 (1.00) SMN1; SMN2
SCHEMBL22096056 0.69 SMN1; SMN2 (1.00) SMN1; SMN2
SCHEMBL4316806 0.69 SMN1; SMN2 (1.00) SMN1; SMN2
SCHEMBL4316809 0.69 SMN1; SMN2 (1.00) SMN1; SMN2
SCHEMBL4309179 0.67 F2 (0.60) MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110555408-B Single-camera real-time three-dimensional human body posture detection method based on self-adaptive mapping relation 深圳龙岗智能视听研究院 2023-07-28 CN disclosed
WO-2023081434-A2 METHODS FOR TREATING OR PREVENTING SARS-COV-2 INFECTIONS AND COVID-19 WITH ANTI-SARS-COV-2 SPIKE GLYCOPROTEIN ANTIBODIES REGENERON PHARMACEUTICALS, INC. (US) 2023-05-11 WO disclosed
EP-4161960-A1 METHODS FOR TREATING OR PREVENTING SARS-COV-2 INFECTIONS AND COVID-19 WITH ANTI-SARS-COV-2 SPIKE GLYCOPROTEIN ANTIBODIES Regeneron Pharmaceuticals, Inc. (US) 2023-04-12 EP disclosed