SCHEMBL7301923

SCHEMBL7301923

O=C(O)CNCc1ccccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.51
FOLH1 Q04609 1/20 0.50
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.43
APEX1 P27695 1/20 0.43
CLCN2 P51788 1/20 0.42
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCAT2 O15382 1/20 0.41
AGTR1 P30556 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL30879601 0.88 HIF1A (0.57) HIF1AFOLH1ALDH1A1ALOX15HPGD
SCHEMBL18586492 0.84 FOLH1 (0.42) HIF1AFOLH1ALDH1A1ALOX15HPGD
SCHEMBL13320279 0.81 HIF1A (0.51) HIF1AFOLH1ALDH1A1ALOX15HPGD
SCHEMBL16701894 0.81 PKM (0.58) HIF1AFOLH1ALDH1A1ALOX15HPGD
SCHEMBL8991903 0.79 ALDH1A1 (0.44) HIF1AALDH1A1ALOX15HPGDTSHR
SCHEMBL14793752 0.79 AKR1B1 (0.53) HIF1ATSHRKDM4EBCAT2RAB9A
SCHEMBL2875329 0.79 TSHR (0.67) HIF1ATSHRHSD17B10KDM4E
SCHEMBL31126963 0.79 HIF1A (0.53) HIF1AFOLH1ALDH1A1ALOX15HPGD
SCHEMBL5780166 0.78 HIF1A (0.43) HIF1AFOLH1ALDH1A1TSHRHTT
SCHEMBL6366958 0.78 TSHR (0.64) HIF1ATSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428009-A Antibiotics, fungicides, and antiprotozoa agents MERCK & CO., INC. (US) 1995-06-27 US disclosed
US-5385884-A Water-soluble, injectible echinocandins; fungicides; antiprotozoa agents, yeasts MERCK & CO. INC. (US) 1995-01-31 US disclosed
US-5369093-A Antibiotic lipopeptides as fungicides and antiprotozoa agents MERCK & CO., INC. (US) 1994-11-29 US disclosed
US-5330973-A Fungicides, antiprotozoa agents MERCK & CO., INC. (US) 1994-07-19 US disclosed
EP-0503960-A1 Cyclic lipopeptides having antibiotic activity MERCK & CO. INC. (US) 1992-09-16 EP disclosed
EP-0448354-A2 Lipopeptide derivatives MERCK & CO. INC. (US) 1991-09-25 EP disclosed
EP-0448343-A2 Lipopeptide derivatives MERCK & CO. INC. (US) 1991-09-25 EP disclosed