SCHEMBL6825435

SCHEMBL6825435

CC(C)(C)[C@H](NC(=O)Nc1ccccc1O)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MMP2 P08253 8/20 0.38
MMP3 P08254 4/20 0.38
BMP1 P13497 1/20 0.38
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ANPEP P15144 1/20 0.33
MMP1 P03956 2/20 0.33
MMP13 P45452 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
SCHEMBL6827632 0.90 TAS1R3 (0.44) NPC1RAB9AMMP2MMP3BMP1
SCHEMBL6822282 0.88 ANPEP (0.45) ALDH1A1HPGDSMN1; SMN2PKMLMNA
SCHEMBL6822309 0.88 TAS1R3 (0.47) NPC1RAB9AMMP2MMP3BMP1
SCHEMBL6822301 0.88 ALDH1A1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MMP2
SCHEMBL6825943 0.88 KMT2A (0.44) NPC1RAB9AALDH1A1MMP2MMP3
SCHEMBL6825963 0.88 ALDH1A1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MMP2
SCHEMBL6822409 0.86 TDP1 (0.46) ALDH1A1HPGDSMN1; SMN2MMP2LMNA
SCHEMBL6922062 0.85 SMN1; SMN2 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2MMP2
SCHEMBL6826086 0.85 MAPT (0.40) NPC1RAB9AALDH1A1SMN1; SMN2MMP2
SCHEMBL6822125 0.85 KMT2A (0.46) NPC1RAB9AALDH1A1SMN1; SMN2PKM

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