SCHEMBL8689463

SCHEMBL8689463

CN(C)C(=O)CCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
HSD11B1 P28845 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM5A P29375 3/20 0.42
PHF8 Q9UPP1 3/20 0.42
KDM2A Q9Y2K7 3/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM4A O75164 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.40
DPP4 P27487 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL24127567 1.00 HPGD (0.48) HPGDHSD11B1MEN1KMT2ANPC1
SCHEMBL10455923 0.88 KDM5A (0.51) HPGDHSD11B1NPC1RAB9AKDM5A
SCHEMBL14923343 0.82 MEN1 (0.48) HPGDHSD11B1MEN1KMT2ANPC1
SCHEMBL10154212 0.81 ALDH1A1 (0.44) HPGDHSD11B1MEN1KMT2ANPC1
SCHEMBL7470707 0.80 ITGB3 (0.41) ALDH1A1DPP4
SCHEMBL8496044 0.80 LMNA (0.48) HPGDHSD11B1MEN1KMT2ANPC1
SCHEMBL12254583 0.79 GNAI3 (0.45) HSD11B1NPC1ALDH1A1DPP4
SCHEMBL25062674 0.79 ALDH1A1 (0.42) HPGDHSD11B1MEN1KMT2ANPC1
SCHEMBL6042973 0.78 KMT2A (0.45) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL8684586 0.78 KMT2A (0.45) HPGDMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed
EP-0385686-A2 Compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-09-05 EP disclosed