SCHEMBL1090508

SCHEMBL1090508

O=C(O)Oc1oc2ccccc2c(=O)c1Cc1c(O)oc2ccccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
CYP3A4 P08684 3/20 0.44
NQO1 P15559 2/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
ABCB11 O95342 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4D Q08499 1/20 0.44
PCSK7 Q16549 1/20 0.44
GPR35 Q9HC97 1/20 0.44
KDM4E B2RXH2 4/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
CA12 O43570 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
SCHEMBL33892 0.84 CYP3A4 (0.59) CYP2C9KMT2AALDH1A1MEN1LMNA
SCHEMBL1860716 0.77 MAOB (0.43) CYP2C9ALDH1A1LMNAKDM4EHTT
SCHEMBL5160745 0.70 HSD17B10 (0.44) CYP2C9KMT2AALDH1A1MEN1LMNA
SCHEMBL10604086 0.70 HSD17B10 (0.44) CYP2C9KMT2AALDH1A1MEN1LMNA
SCHEMBL31556111 0.70 MAOA (0.48) CYP2C9KMT2AALDH1A1MEN1LMNA
SCHEMBL15876339 0.69 L3MBTL1 (0.47) CYP2C9KMT2AALDH1A1LMNAMAPK1
SCHEMBL1180659 0.66 KDM4E (0.62) CYP2C9KMT2AALDH1A1MEN1LMNA
SCHEMBL9531458 0.66 ALDH1A1 (0.76) CYP2C9KMT2AALDH1A1MEN1LMNA
SCHEMBL1649847 0.66 CYP2C9 (0.50) CYP2C9KMT2AALDH1A1MEN1LMNA
SCHEMBL9413588 0.65 NPC1 (0.68) CYP2C9KMT2AALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153811-B2 Latent fluorimetric indicator for biological analytes determination and the preparation method thereof NATIONAL TAIPEI UNIVERSITY OF TECHNOLOGY (TW) 2012-04-10 US disclosed
US-20100047839-A1 LATENT FLUORIMETRIC INDICATOR FOR BIOLOGICAL ANALYTES DETERMINATION AND THE PREPARATION METHOD THEREOF NATIONAL TAIPEI UNIVERSITY OF TECHNOLOGY (TW) 2010-02-25 US disclosed