SCHEMBL7701028

SCHEMBL7701028

CC(=O)c1ccccc1OC(=O)c1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 16/20 1.00
ALDH1A1 P00352 4/20 0.68
TSHR P16473 4/20 0.68
HSD17B10 Q99714 3/20 0.68
MAPT P10636 6/20 0.66
MEN1 O00255 2/20 0.66
CYP1A2 P05177 1/20 0.66
HPGD P15428 1/20 0.66
CYP2C19 P33261 1/20 0.66
RAB9A P51151 1/20 0.66
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
F2 P00734 2/20 0.50
ALOX15 P16050 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL28362029 0.79 KMT2A (0.65) KMT2AALDH1A1TSHRHSD17B10MAPT
SCHEMBL27906644 0.77 KMT2A (0.63) KMT2AALDH1A1TSHRHSD17B10MAPT
SCHEMBL16797440 0.76 KMT2A (0.74) KMT2AALDH1A1TSHRHSD17B10MAPT
SCHEMBL26490187 0.76 SLC6A3 (0.72) KMT2AALDH1A1TSHRHSD17B10MAPT
SCHEMBL6340252 0.76 KMT2A (0.61) KMT2AALDH1A1MAPTMEN1CYP1A2
SCHEMBL11050544 0.75 KDM4E (0.74) KMT2AALDH1A1TSHRHSD17B10MAPT
SCHEMBL1004350 0.75 KMT2A (0.59) KMT2AALDH1A1TSHRHSD17B10MAPT
SCHEMBL21771871 0.75 KMT2A (0.60) KMT2AALDH1A1TSHRHSD17B10MAPT
SCHEMBL20323265 0.75 KMT2A (0.68) KMT2AALDH1A1HSD17B10MAPTMEN1
SCHEMBL12608927 0.75 HSD17B10 (0.72) KMT2AALDH1A1TSHRHSD17B10MAPT

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-6346260-B1 HETEROCYCLIC ALKYLENEDIONE PHENOLS AND ALKYLENEDIONE PHENYL PHENOL CIBA SPECIALTY CHEMICALS CORPORATION 2002-02-12 US disclosed
EP-1074179-A2 Microbicidal active ingredients Ciba SC Holding AG (CH) 2001-02-07 EP disclosed