SCHEMBL11804263

SCHEMBL11804263

CC(SC(=O)c1ccccc1)C(=O)c1ccccc1NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
GPR139 Q6DWJ6 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
BACE1 P56817 1/20 0.34
MDM4 O15151 1/20 0.34

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
SCHEMBL11804273 0.80 RAB9A (0.45) AGTR1RAB9AALDH1A1HPGDKMT2A
SCHEMBL9716704 0.80 KDM4E (0.49) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL11800788 0.77 KDM4E (0.46) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL11819594 0.77 KDM4E (0.46) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL10505335 0.75 MME (0.48) ALDH1A1HPGDHSD17B10KMT2AMEN1
SCHEMBL698881 0.74 AGTR1 (0.60) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL8074247 0.73 LARS1 (0.44) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL6303080 0.72 AGTR1 (0.44) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL690246 0.72 KDM4E (0.53) AGTR1KDM4ERAB9AALDH1A1HPGD
SCHEMBL5967407 0.72 KDM4E (0.50) AGTR1KDM4ERAB9AALDH1A1HPGD

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
US-3971828-A METABOLISM, PROPHYLAXIS SANTEN PHARMACEUTICAL CO. LTD. (JA) 1976-07-27 US disclosed