SCHEMBL7367989

SCHEMBL7367989

CC(C)CCn1cnc2c(=O)n(C)c(=O)[nH]c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 7/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
APAF1 O14727 1/20 0.39
CASP6 P55212 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 3/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HPGD P15428 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL169145 0.87 KDM4E (0.41) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL9199287 0.85 LMNA (0.40) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL2948723 0.81 GAA (0.53) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL8884657 0.78 PNP (0.51) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL10432471 0.77 HSD17B10 (0.49) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL3141045 0.76 KMT2A (0.43) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL7416953 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL515776 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL7455166 0.71 SMN1; SMN2 (0.61) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL23797830 0.69 HTT (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869450-A AMINO ACID SEQUENCES OF PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-02-09 US disclosed
WO-1997032898-A9 ANTI-INFLAMMATORY CRF ANALOGS, THEIR COMPOSITIONS AND USE 1997-10-30 WO disclosed
WO-1997032898-A1 ANTI-INFLAMMATORY CRF ANALOGS, THEIR COMPOSITIONS AND USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-09-12 WO disclosed