SCHEMBL29736066

SCHEMBL29736066

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.49
▸ TFPI P10646 1/20 0.42
▸ NPY1R P25929 2/20 0.41
▸ NPY2R P49146 2/20 0.41
▸ NPY4R P50391 2/20 0.41
▸ NPY5R Q15761 2/20 0.41
▸ OPRL1 P41146 2/20 0.41
▸ VIPR2 P41587 2/20 0.41
▸ VIPR1 P32241 1/20 0.41
▸ IL23R Q5VWK5 1/20 0.41
▸ ECE1 P42892 1/20 0.41
▸ GLP1R P43220 1/20 0.41
▸ MUS81 Q96NY9 1/20 0.41

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
SCHEMBL29736168 0.98 KEAP1 (0.47) KEAP1TFPINPY1RNPY2RNPY4R
SCHEMBL29736056 0.95 TFPI (0.46) KEAP1TFPIOPRL1ECE1GLP1R
SCHEMBL29736145 0.95 TFPI (0.46) KEAP1TFPIOPRL1ECE1GLP1R
SCHEMBL29595771 0.94 TFPI (0.46) KEAP1TFPINPY1RNPY2RNPY4R
SCHEMBL29735980 0.94 KEAP1 (0.47) KEAP1TFPINPY1RNPY2RNPY4R
SCHEMBL29736361 0.93 TFPI (0.44) KEAP1TFPIOPRL1ECE1GLP1R
SCHEMBL29736243 0.92 PRMT1 (0.46) KEAP1TFPIOPRL1IL23R
SCHEMBL30433111 0.89 OPRL1 (0.51) KEAP1TFPIOPRL1VIPR2VIPR1
SCHEMBL29595332 0.89 TFPI (0.46) KEAP1TFPI
SCHEMBL29595513 0.89 TFPI (0.43) KEAP1TFPINPY1RNPY2RNPY4R

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-11365217-B2 Peptides for treating telomere dysfunction-associated diseases and uses thereof HANGZHOU DUANLI BIOTECHNOLOGY COMPANY LIMITED (CN) 2022-06-21 — — US disclosed
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