SCHEMBL9830294

SCHEMBL9830294

COc1ccccc1C(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CTSD P07339 1/20 0.48
FOLH1 Q04609 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
C3AR1 Q16581 1/20 0.45
KCNA3 P22001 1/20 0.44
RAB9A P51151 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
NAMPT P43490 1/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL9830315 1.00 HPGD (0.48) HPGDALDH1A1CTSDFOLH1TP53
SCHEMBL27711307 0.89 KDM4E (0.48) HPGDALDH1A1FOLH1C3AR1KMT2A
SCHEMBL12971399 0.83 POLB (0.45) FOLH1C3AR1RAB9AHDAC3HDAC1
SCHEMBL12971401 0.83 POLB (0.45) FOLH1C3AR1RAB9AHDAC3HDAC1
SCHEMBL8379662 0.82 C3AR1 (0.44) HPGDFOLH1L3MBTL1C3AR1KMT2A
Alcohol SCHEMBL29029781 0.81 CA2 (0.49) FOLH1C3AR1
Alcohol SCHEMBL2258594 0.81 CA2 (0.49) FOLH1C3AR1
SCHEMBL188589 0.81 C3AR1 (0.52) FOLH1C3AR1
SCHEMBL188590 0.81 C3AR1 (0.52) FOLH1C3AR1
SCHEMBL7925397 0.81 C3AR1 (0.52) FOLH1C3AR1

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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed