SCHEMBL9713549

SCHEMBL9713549

Cc1cc(C)c(Sc2c(C)cc(C)cc2O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.48
SELP P16109 1/20 0.48
SELE P16581 1/20 0.48
ACHE P22303 1/20 0.48
TP53 P04637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
TRPA1 O75762 1/20 0.39
ALOX15 P16050 4/20 0.38
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 2/20 0.38
ALOX12 P18054 2/20 0.38
RECQL P46063 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL11745730 0.91 ALDH1A1 (0.42) SELLSELPSELEACHETP53
SCHEMBL2051299 0.83 SELL (0.46) SELLSELPSELEACHETP53
SCHEMBL9935610 0.81 RAPGEF4 (0.43) SELLSELPSELEACHETP53
SCHEMBL28683987 0.79 GAA (0.40) TP53MAPTKDM4EGAAKMT2A
SCHEMBL29384303 0.76 ALDH1A1 (0.39) TP53TDP1ALDH1A1MAPTKDM4E
SCHEMBL5933790 0.76 ALDH1A1 (0.39) TP53TDP1ALDH1A1MAPTKDM4E
SCHEMBL11613649 0.76 ALDH1A1 (0.46) TP53TDP1ALDH1A1MAPTKDM4E
SCHEMBL6130258 0.73 ALDH1A1 (0.56) SELLSELPSELEACHETP53
SCHEMBL659541 0.72 SELL (0.50) SELLSELPSELEACHETP53
SCHEMBL205747 0.70 ACHE (0.72) SELLSELPSELEACHETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260443-B1 NEW MONOMERS AND OLIGOMERS CONTAINING A PLURALITY OF VINYLBENZYL ETHER GROUPS, METHOD FOR THEIR PREPARATION AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1992-01-08 EP disclosed
US-4740330-A ALKALI SALT FORMATION, REACTING WITH ALLYL HALIDE IN PRESENCE OF POLAR APROTIC SOLVENT THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
EP-0260443-A2 New monomers and oligomers containing a plurality of vinylbenzyl ether groups, method for their preparation and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1988-03-23 EP disclosed
US-4707558-A USING A POLAR APPOTIC SOLVENT TO REACT AN ALKALI METAL PHENOXIDE BASED ON A POLYHYDROXY COMPOUND WITH A VINYLBENZYL HALIDE THE DOW CHEMICAL COMPANY (US) 1987-11-17 US disclosed