SCHEMBL22042801

SCHEMBL22042801

CC(COC(=O)C(C)(C)Br)C(=O)OCC1COC(C)(C)O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DGAT1 O75907 1/20 0.31
APP P05067 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL106425 0.88 CA2 (0.48) CA2TMEM97SIGMAR1HTR7ALDH1A1
SCHEMBL14713377 0.81 CA2 (0.42) CA2TMEM97SIGMAR1HTR7ALDH1A1
SCHEMBL18195526 0.80 CA2 (0.48) CA2TMEM97SIGMAR1HTR7ALDH1A1
SCHEMBL21133591 0.79 GRM4 (0.32)
SCHEMBL24152145 0.78 CA2 (0.49) CA2TMEM97SIGMAR1HTR7ALDH1A1
SCHEMBL12133986 0.78 CA2 (0.51) CA2TMEM97SIGMAR1HTR7ALDH1A1
SCHEMBL5519006 0.78 CA2 (0.46) CA2TMEM97SIGMAR1HTR7ALDH1A1
SCHEMBL11922847 0.77 CA2 (0.50) CA2TMEM97SIGMAR1HTR7ALDH1A1
SCHEMBL10167848 0.76 CA2 (0.47) CA2TMEM97SIGMAR1HTR7ALDH1A1
SCHEMBL30364186 0.76 CA2 (0.47) CA2TMEM97SIGMAR1HTR7ALDH1A1

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
EP-3659591-B1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES KODIAK SCIENCES INC (US) 2023-10-25 EP disclosed
EP-3659591-A1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES Kodiak Sciences Inc. (US) 2020-06-03 EP disclosed