SCHEMBL22754642

SCHEMBL22754642

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
LMNA P02545 2/20 0.40
SLC15A2 Q16348 1/20 0.40
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ACE P12821 3/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
UGT2B7 P16662 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL22754602 0.93 FOLH1 (0.46) FOLH1LMNASLC15A2TP53L3MBTL1
SCHEMBL22754603 0.93 FOLH1 (0.46) FOLH1LMNASLC15A2TP53L3MBTL1
SCHEMBL10639478 0.84 FOLH1 (0.53) FOLH1LMNATP53L3MBTL1KDM4E
SCHEMBL2431325 0.74 NPC1 (0.58) FOLH1LMNAKDM4ENPC1RAB9A
SCHEMBL7910636 0.73 NPC1 (0.59) FOLH1LMNAKDM4ENPC1RAB9A
SCHEMBL22754195 0.73 TSHR (0.43) FOLH1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3625534 0.72 KDM4E (0.57) FOLH1LMNAKDM4ENPC1RAB9A
SCHEMBL21354342 0.70 KDM4E (0.64) FOLH1LMNAKDM4ENPC1RAB9A
SCHEMBL938755 0.70 KDM4E (0.64) FOLH1LMNAKDM4ENPC1RAB9A
SCHEMBL7351109 0.70 L3MBTL1 (0.40) FOLH1L3MBTL1ALDH1A1

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