SCHEMBL22351935

SCHEMBL22351935

CSP(=O)(O)OCC1CC[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ NT5E P21589 1/20 0.50
▸ PNP P00491 3/20 0.49
▸ HPRT1 P00492 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ FUT5 Q11128 1/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ HINT1 P49773 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ KRAS P01116 3/20 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
SCHEMBL22352199 1.00 POLB (0.53) POLBNT5EPNPHPRT1ALDH1A1
SCHEMBL16144103 0.90 POLB (0.56) POLBNT5EPNPHPRT1ALDH1A1
SCHEMBL21417495 0.90 POLB (0.59) POLBNT5EPNPHPRT1ALDH1A1
SCHEMBL18837841 0.90 POLB (0.59) POLBNT5EPNPHPRT1ALDH1A1
SCHEMBL3894678 0.90 POLB (0.59) POLBNT5EPNPHPRT1ALDH1A1
SCHEMBL20758514 0.90 POLB (0.59) POLBNT5EPNPHPRT1ALDH1A1
SCHEMBL19145773 0.89 POLB (0.56) POLBNT5EPNPHPRT1ALDH1A1
SCHEMBL20762962 0.88 POLB (0.54) POLBNT5EPNPHPRT1ALDH1A1
SCHEMBL20762967 0.88 POLB (0.54) POLBNT5EPNPHPRT1ALDH1A1
SCHEMBL23679527 0.88 POLB (0.56) POLBNT5EPNPHPRT1ALDH1A1

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
WO-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 — — WO disclosed
Send feedback