SCHEMBL22754602

SCHEMBL22754602

CC(=O)CC[C@H]1CC[C@H](CCC(=O)O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
LMNA P02545 2/20 0.43
SLC15A2 Q16348 1/20 0.43
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
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
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
UGT2B7 P16662 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
ACE P12821 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTPN1 P18031 1/20 0.31
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
SCHEMBL22754603 1.00 FOLH1 (0.46) FOLH1LMNASLC15A2KDM4EALDH1A1
SCHEMBL22754642 0.93 FOLH1 (0.51) FOLH1LMNASLC15A2KDM4EALDH1A1
SCHEMBL10639478 0.76 FOLH1 (0.53) FOLH1LMNAKDM4EALDH1A1TP53
SCHEMBL17964285 0.72 TP53 (0.49) LMNASLC15A2KDM4EALDH1A1TP53
SCHEMBL6978155 0.70
SCHEMBL7347124 0.69 ACE (0.62) FOLH1LMNAACE
SCHEMBL2431325 0.69 NPC1 (0.58) FOLH1LMNAKDM4EALDH1A1NPC1
SCHEMBL8405724 0.69 FOLH1 (0.48) FOLH1LMNAKDM4ENPSR1KDM5C
SCHEMBL14318654 0.69 FOLH1 (0.48) FOLH1LMNAKDM4ENPSR1KDM5C
SCHEMBL2250831 0.68 PTPN1 (0.33) KDM4EALDH1A1PTPN1

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-3748040-A1 ELECTROCHEMICAL SOFTENER SYNTHESIS BASF SE (DE) 2020-12-09 EP disclosed