SCHEMBL22640952

SCHEMBL22640952

C=CCCCCC(=O)ON(C)C(=O)CCC=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 4/20 0.41
ABCC4 O15439 1/20 0.41
CYP3A4 P08684 3/20 0.36
USP2 O75604 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
TSHR P16473 2/20 0.35
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL22640979 0.95 ALDH1A1 (0.45) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL25587548 0.83 PHF8 (0.42) MAPTKDM6BKDM5CEGLN1PHF8
SCHEMBL18643021 0.83 DNM1 (0.45) ALDH1A1LMNAMAPTTSHR
SCHEMBL23196453 0.83 DNM1 (0.45) ALDH1A1LMNAMAPTTSHR
SCHEMBL18857631 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMAPTCYP3A4USP2
SCHEMBL20000719 0.80 KDM4A (0.38) ALDH1A1LMNAKDM6BKDM5CEGLN1
SCHEMBL25672058 0.80 KDM6B (0.33) LMNAMAPTKDM6BKDM5CEGLN1
SCHEMBL18857622 0.79 MAPT (0.39) ALDH1A1MAPTCYP3A4USP2KDM6B
SCHEMBL20197677 0.79 KDM4A (0.40) ALDH1A1LMNACYP3A4TSHRKDM6B
SCHEMBL20860759 0.78 ALDH1A1 (0.40) ALDH1A1MAPTTSHRKDM6BKDM5C

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
EP-3145934-B1 SUBSTITUTED-6,8-DIOXABICYCLO[3.2.1]OCTANE-2,3-DIOL COMPOUNDS AS TARGETING AGENTS OF ASGPR PFIZER (US) 2020-11-11 EP disclosed