SCHEMBL6827787

SCHEMBL6827787

CC(CNC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.41
USP30 Q70CQ3 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 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
SCHEMBL6825512 1.00 RAB9A (0.43) RAB9ANPC1USP30LMNAALDH1A1
SCHEMBL6825333 0.98 RAB9A (0.41) RAB9ANPC1USP30LMNAALDH1A1
SCHEMBL6825616 0.93 LMNA (0.41) RAB9ALMNAALDH1A1GAATSHR
SCHEMBL6822383 0.93 LMNA (0.41) RAB9ALMNAALDH1A1GAATSHR
SCHEMBL6822115 0.91 RAB9A (0.41) RAB9ANPC1USP30LMNAALDH1A1
SCHEMBL6827741 0.91 RAB9A (0.41) RAB9ANPC1USP30LMNAALDH1A1
SCHEMBL6825381 0.91 TRPV1 (0.40) RAB9ALMNAALDH1A1GAATSHR
SCHEMBL6825499 0.89 TAS1R3 (0.44) RAB9ANPC1ALDH1A1
SCHEMBL6825998 0.88 ALDH1A1 (0.53) LMNAALDH1A1GAATSHRKMT2A
SCHEMBL6825843 0.88 ALDH1A1 (0.53) LMNAALDH1A1GAATSHRKMT2A

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-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed