SCHEMBL24709299

SCHEMBL24709299

CC(C)(CC(N)=O)CC(C)(C)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11981948 0.85 KDM4E (0.39) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL20902791 0.84 KDM4E (0.37) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL22793509 0.84 KDM4E (0.32) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL22662448 0.84 KDM4E (0.52) KDM4EALDH1A1CYP2C19TDP1
SCHEMBL19400374 0.84 KDM4E (0.32) KDM4ELMNAALOX15BLMPMP22
SCHEMBL7083891 0.80 KDM4E (0.36) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL960674 0.79 KDM4E (0.40) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL16280996 0.79 KDM4E (0.42) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL22662460 0.78 KDM4E (0.30) KDM4ETDP1
SCHEMBL14094680 0.78 KDM4E (0.44) KDM4ELMNAHSD17B10

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-2022261221-A1 NON-PEPTIDE TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-12-15 WO disclosed