SCHEMBL4582313

SCHEMBL4582313

CC(O)(Cc1ccc(O)cc1)C(=O)C(C)(O)Cc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.59
BLM P54132 1/20 0.56
ESR2 Q92731 7/20 0.53
CA2 P00918 2/20 0.43
CAMK2A Q9UQM7 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.40
F13A1 P00488 1/20 0.40
CTBP2 P56545 1/20 0.40
ESRRG P62508 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL13809480 0.86 BLM (0.65) ESR1BLMESR2CA2CAMK2A
SCHEMBL6460128 0.83 HPGD (0.44) ESR1BLMCA2MEN1KMT2A
SCHEMBL4359977 0.81 SMN1; SMN2 (0.50)
SCHEMBL6455520 0.80 PPARA (0.49) ESR1BLMCA2TSHR
SCHEMBL2485459 0.79 CYP2C9 (0.46) MEN1KMT2AKDM4E
SCHEMBL2113632 0.78 L3MBTL1 (0.48) ESR1BLMESR2CA2MEN1
SCHEMBL13792083 0.78 ESR1 (0.48) ESR1BLMESR2CA2MEN1
SCHEMBL2112262 0.78 L3MBTL1 (0.48) ESR1BLMESR2CA2MEN1
SCHEMBL3993833 0.78 ESR1 (0.48) ESR1BLMESR2CA2MEN1
SCHEMBL1068241 0.78 ESR1 (0.70) ESR1BLMESR2CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964896-A2 Ink-jet ink and ink-jet recording method Konica Minolta Holdings, Inc. (JP) 2008-09-03 EP disclosed
US-20080206487-A1 Ink-jet ink and ink-jet recording method KONICA MINOLTA HOLDINGS, INC. (JP) 2008-08-28 US disclosed
US-5314936-A Aqueous polymer dispersions containing organic compounds having carbonate groups and carbonyl groups and paints and coating systems produced therewith BASF AKTIENGESELLSCHAFT (DE) 1994-05-24 US disclosed
US-5292915-A Emulsifier BASF AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
EP-0217205-B1 COPOLYMERISABLE PHOTOINITIATORS CIBA-GEIGY AG (CH) 1991-12-11 EP disclosed