SCHEMBL29699586

SCHEMBL29699586

Cc1cccc(OC(=O)c2ccccc2C(=O)Oc2cccc(C)c2C)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
KMT2A Q03164 3/20 0.58
ESR1 P03372 2/20 0.58
ESR2 Q92731 2/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 2/20 0.55
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
FNTA P49354 1/20 0.46

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
SCHEMBL9851427 0.90 KMT2A (0.64) POLBKMT2AESR1ESR2MEN1
SCHEMBL28731362 0.89 KMT2A (0.67) POLBKMT2AESR1ESR2MEN1
SCHEMBL2833933 0.89 KMT2A (0.57) POLBKMT2AESR1ESR2MEN1
SCHEMBL30607253 0.86 ESR1 (0.58) POLBKMT2AESR1ESR2MEN1
SCHEMBL5150486 0.86 ESR1 (0.58) POLBKMT2AESR1ESR2MEN1
SCHEMBL6349146 0.84 POLB (0.73) POLBKMT2AESR1ESR2MEN1
SCHEMBL29185418 0.83 ESR1 (0.60) POLBKMT2AESR1ESR2MEN1
SCHEMBL28731649 0.83 KMT2A (0.73) POLBKMT2AESR1ESR2MEN1
SCHEMBL8431592 0.82 KMT2A (0.68) POLBKMT2AESR1ESR2MEN1
SCHEMBL27606607 0.82 ALDH1A1 (0.68) POLBKMT2AESR1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220170904-A1 SYSTEMS AND METHODS FOR MONITORING BIOLOGICAL TISSUE DEGRADATION ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2022-06-02 US disclosed