SCHEMBL3898415

SCHEMBL3898415

COc1ccc2c(C(=O)O)c3c(-c4ccccc4)c(OC)ccc3nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 1/20 0.46
TACR3 P29371 4/20 0.45
DHODH Q02127 2/20 0.44
PLA2G2A P14555 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ACACA Q13085 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
NQO2 P16083 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL3895839 0.94 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6584881 0.79 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22969068 0.78 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7531424 0.78 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8688747 0.75 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5945399 0.75 PDE10A (0.68) TACR3DHODH
SCHEMBL3036200 0.73 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28364890 0.73 ESR1 (0.63) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3047145 0.72 PLA2G2A (0.46) KDM4EALDH1A1SMN1; SMN2KMT2ACYP2C9
SCHEMBL9425730 0.72 DHODH (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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
EP-0916658-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2009-03-18 EP disclosed
EP-0322926-B2 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 2004-03-31 EP disclosed
EP-0322926-B1 Assays utilizing improved chemiluminescent esters, thioesters and amides NICHOLS INST DIAGNOSTICS (US) 1999-08-11 EP disclosed
EP-0916658-A1 Assays utilizing improved chemiluminescent esters, thioesters and amides Nichols Institute Diagnostics (US) 1999-05-19 EP disclosed
US-5284952-A Sulfonyl substituted chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
US-5284951-A Aryl ester, thioester or amide of carboxylic acid substituted heterocyclic ring; quaternary compounds LONDON DIAGNOSTICS, INC. (US) 1994-02-08 US disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP disclosed