SCHEMBL26568487

SCHEMBL26568487

CC1=CCC2(CC1C(=O)O)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.34
MMP2 P08253 4/20 0.33
ANPEP P15144 2/20 0.33
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8361030 0.66 PTPN1 (0.31) KMT2AALDH1A1
SCHEMBL14618066 0.61 GRM4 (0.44) KMT2AALDH1A1
SCHEMBL12367831 0.61 CYP2C19 (0.52) KMT2AALDH1A1
SCHEMBL15548316 0.60 TSHR (0.36) KMT2AALDH1A1
SCHEMBL21142881 0.60 MMP2 (0.41) MMP2ANPEPALDH1A1
SCHEMBL17611921 0.60 APLNR (0.37) KMT2AALDH1A1
SCHEMBL11503086 0.59 KMT2A (0.31) KMT2AALDH1A1
SCHEMBL21243947 0.59 PTPN1 (0.31) KMT2AALDH1A1
SCHEMBL12555452 0.59 ALDH1A1 (0.31) KMT2AALDH1A1
SCHEMBL4593503 0.59 TP53 (0.33)

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-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed