SCHEMBL4081642

SCHEMBL4081642

CC(C)Oc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
KMT2A Q03164 1/20 0.60
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PARP10 Q53GL7 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
MCL1 Q07820 2/20 0.46
HPSE Q9Y251 1/20 0.45
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43

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
SCHEMBL25407528 0.88 ALDH1A1 (0.79) ALDH1A1KMT2APOLBKDM4EHPSE
SCHEMBL30388597 0.88 ALDH1A1 (0.79) ALDH1A1KMT2APOLBKDM4EHPSE
SCHEMBL27789682 0.88 ALDH1A1 (0.77) ALDH1A1KMT2AKDM4EPARP10RXRA
SCHEMBL29875598 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4ETDP1
SCHEMBL28365983 0.85 ALDH1A1 (0.73) ALDH1A1KMT2APOLBKDM4EPARP10
SCHEMBL5121870 0.85 ALDH1A1 (0.73) ALDH1A1KMT2APOLBKDM4EPARP10
SCHEMBL1316975 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4EMCL1TDP1
SCHEMBL539134 0.85 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4ETDP1
SCHEMBL711082 0.85 ALDH1A1 (0.73) ALDH1A1KMT2APOLBKDM4EPARP10
SCHEMBL17908039 0.85 ALDH1A1 (0.73) ALDH1A1KMT2APOLBKDM4EPARP10

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-1538160-B1 Substituted Isoquinolin-3-carboxyamides, their preparation and medical use FIBROGEN INC (US) 2009-06-03 EP disclosed
US-7393625-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2008-07-01 US disclosed
EP-1840646-A1 Photothermographic material FUJIFILM Corporation (JP) 2007-10-03 EP disclosed
US-20070224555-A1 Photothermographic material FUJIFILM CORPORATION 2007-09-27 US disclosed
EP-0911340-B1 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use FIBROGEN INC (US) 2005-07-06 EP disclosed
US-6093730-A AN ENZYME INHIBITORS OF PROLYL-4-HYDROXYLASE FOR TREATING FIBROTIC DISORDERS AND INHIBITING COLLAGEN BIOSYNTHESIS HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) 2000-07-25 US disclosed
EP-0911340-A2 Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-28 EP disclosed