SCHEMBL9832137

SCHEMBL9832137

CC(C)CC(NC(=O)C1CCCC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.52
PSMB5 P28074 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.49
MAPT P10636 1/20 0.49
FOLH1 Q04609 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7897832 1.00 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL6562939 0.98 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL8581694 0.98 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL9829273 0.98 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL7896986 0.98 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL6561332 0.97 TSHR (0.53) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL25045739 0.97 KMT2A (0.56) ALDH1A1KMT2AMEN1LMNATSHR
Benzene SCHEMBL28226142 0.95 PSMB5 (0.55) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL7898101 0.93 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL1951893 0.93 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3981394-A1 A SORTILIN ANTAGONIST FOR USE IN THE PREVENTION OR TREATMENT OF HEARING LOSS. Insusense ApS (DK) 2022-04-13 EP disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed