SCHEMBL29815484

SCHEMBL29815484

COC(CCC(=O)O)COCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.56
HTT P42858 2/20 0.48
KMT2A Q03164 1/20 0.46
SLC1A1 P43005 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CPA3 P15088 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MMP12 P39900 1/20 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
SCHEMBL29815406 0.84 PPARA (0.48) FOLH1HTTKMT2ASLC1A1CA1
SCHEMBL12744032 0.82 TSHR (0.56) HTTKMT2ASLC1A1CA1CA2
SCHEMBL5870182 0.81 FOLH1 (0.58) FOLH1HTTKMT2ASLC1A1CA1
SCHEMBL28779141 0.81 CPA3 (0.57) FOLH1CPA3MMP12
SCHEMBL23949886 0.80 KMT2A (0.47) HTTKMT2ASLC1A1CA1CA2
SCHEMBL13405409 0.80 KMT2A (0.47) HTTKMT2ASLC1A1CA1CA2
SCHEMBL13839195 0.80 NPC1 (0.48) HTTKMT2ASLC1A1CA1CA2
SCHEMBL2308784 0.80 HTT (0.46) HTTKMT2ASLC1A1CA1CA2
SCHEMBL3374459 0.80 HTT (0.46) HTTKMT2ASLC1A1CA1CA2
SCHEMBL28120493 0.80 KMT2A (0.46) HTTKMT2ACA1CA2CA7

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-2022161448-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-08-04 WO disclosed