SCHEMBL10596179

SCHEMBL10596179

Cc1oc(C)c(OC(=O)O)c1OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.38
APEX1 P27695 1/20 0.35
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
MPI P34949 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL10499912 0.91 POLB (0.34) POLBALDH1A1APEX1MEN1KMT2A
SCHEMBL5697079 0.75 CA1 (0.31)
SCHEMBL3417324 0.72 GAA (0.37) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL9525879 0.72 NPC1 (0.33) ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL19183362 0.70
SCHEMBL176317 0.69 CA1 (0.35) POLBTDP1MAPTHPGDSMN1; SMN2
SCHEMBL9512174 0.67 ALDH1A1 (0.31) ALDH1A1GAAHPGD
SCHEMBL9815332 0.67 KDM4E (0.42) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL982574 0.67 L3MBTL1 (0.58) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL8106146 0.67 KDM4E (0.35) POLBALDH1A1MEN1KMT2ATDP1

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-0207396-B1 TETRAHYDROFURANCARBOXYLIC-ACID DERIVATIVES BASF Aktiengesellschaft (DE) 1989-04-19 EP disclosed
EP-0207396-A1 Tetrahydrofurancarboxylic-acid derivatives BASF Aktiengesellschaft (DE) 1987-01-07 EP disclosed