SCHEMBL7823486

SCHEMBL7823486

CC(C)Oc1ccc2c(c1)OC=C(C(=O)O)O2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PTGDR Q13258 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
PARP10 Q53GL7 1/20 0.39
MCL1 Q07820 2/20 0.39
BCL2 P10415 1/20 0.38
MDM2 Q00987 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL7818300 0.86 KDM4E (0.47) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL8580159 0.83 MAPT (0.39) ALDH1A1KMT2AKDM4EMEN1TP53
SCHEMBL6332615 0.77 KMT2A (0.62) ALDH1A1KMT2AKDM4EMEN1TP53
SCHEMBL7817781 0.76 CA12 (0.37) ALDH1A1KMT2AMEN1CYP2C9HPGD
SCHEMBL7819754 0.75 KDM4E (0.44) ALDH1A1KDM4EHPGD
SCHEMBL5337947 0.72 POLB (0.44) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL9255645 0.72 CA12 (0.47) ALDH1A1KDM4ETP53CYP2C9HPGD
SCHEMBL6685590 0.72 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EHPGDHSD17B10
SCHEMBL6264002 0.72 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4EMEN1HPGD
SCHEMBL4204148 0.71 MTNR1A (0.42) ALDH1A1CYP2C9

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
EP-0841337-B1 Substituted 7,12-dioxabenzo(a)anthracene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-09-05 EP disclosed
EP-0841337-A1 Substituted 7,12-dioxabenzo(a)anthracene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-05-13 EP disclosed