SCHEMBL9670306

SCHEMBL9670306

O=[C]c1cc(C(=O)O)cc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTPN1 P18031 1/20 0.46
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2C Q14957 1/20 0.42
MAPT P10636 2/20 0.42
MGAM O43451 1/20 0.42
DAO P14920 1/20 0.40
TSHR P16473 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL2185142 0.84 KDM2B (0.51) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL688832 0.84 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL9670475 0.81 PTPN1 (0.62) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL9098921 0.78 TDP1 (0.54) KMT2AALDH1A1HPGDKDM4EMAPT
SCHEMBL30363668 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL7554285 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL70654 0.76 PTPN1 (0.65) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL29406969 0.76 PTPN1 (0.65) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL9098788 0.76 NQO2 (0.55) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL163552 0.76 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed