SCHEMBL8565178

SCHEMBL8565178

O=C(O)C1=CC(=O)C(=O)C=C1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TSHR P16473 3/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 4/20 0.32
BLM P54132 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
THRB P10828 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.32
DAO P14920 1/20 0.32
NAPRT Q6XQN6 1/20 0.32

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
SCHEMBL10964095 0.87 ALOX15 (0.36) MAOAMAOBTSHRTP53ALOX15
SCHEMBL2193087 0.81 NSD2 (0.32) MAOAMAOBPTPN1
SCHEMBL28210086 0.75 PTPN1 (0.36) MAOAMAOBTSHRTP53ALOX15
SCHEMBL7195409 0.73 MEN1 (0.37) TSHRTP53ALOX15BLMALDH1A1
SCHEMBL10780286 0.73 MAOA (0.50) MAOAMAOB
SCHEMBL28422242 0.73 XIAP (0.38) TSHRTP53ALOX15BLMALDH1A1
SCHEMBL7196136 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28198484 0.69 ALDH1A1 (0.41) MAOAMAOBTSHRALOX15BLM
SCHEMBL28736224 0.69 C9 (0.41) MAOAMAOBTSHRALOX15BLM
SCHEMBL27723749 0.67 TSHR (0.41) TSHRTP53ALOX15ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5720793-A Calcium agent for plants BIHOKU FUNKA KOGYO CO., LTD. (JP) 1998-02-24 US disclosed
EP-0592964-B1 Calcium agent for plants BIHOKU FUNKA KOGYO CO LTD (JP) 1998-01-07 EP disclosed
EP-0592964-A1 Calcium agent for plants BIHOKU FUNKA KOGYO CO., LTD. (JP) 1994-04-20 EP disclosed
US-4377490-A CYANOACRYLATE, ETHERS, ALCOHOLS, ACIDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-03-22 US disclosed