SCHEMBL9502203

SCHEMBL9502203

CCOc1ccc(Pc2ccc(OCC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.70
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LTA4H P09960 2/20 0.56
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PARP10 Q53GL7 1/20 0.47
RELA Q04206 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADRA2A P08913 2/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44

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
Hydrochloric Acid SCHEMBL2154481 0.98 NQO1 (0.67) NQO1TSHRTDP1LTA4HALDH1A1
Hydrochloric Acid SCHEMBL2154259 0.89 LTA4H (0.59) NQO1TSHRTDP1LTA4HALDH1A1
1,4-Diethoxybenzene SCHEMBL28186701 0.84 NQO1 (1.00) NQO1TSHRTDP1LTA4HALDH1A1
1,4-Diethoxybenzene SCHEMBL124015 0.84 NQO1 (1.00) NQO1TSHRTDP1LTA4HALDH1A1
SCHEMBL8386705 0.81 NQO1 (0.64) NQO1TSHRTDP1LTA4HALDH1A1
SCHEMBL27586330 0.81 NQO1 (0.64) NQO1TSHRTDP1LTA4HALDH1A1
1,4-Diethoxybenzene SCHEMBL11794798 0.81 NQO1 (0.93) NQO1TSHRTDP1LTA4HALDH1A1
1,4-Diethoxybenzene SCHEMBL27616183 0.78 NQO1 (0.88) NQO1TSHRTDP1LTA4HALDH1A1
1-Hydroxy-4-Ethoxybenzene SCHEMBL28520 0.77 LTA4H (0.86) NQO1TSHRTDP1LTA4HPARP10
1-Hydroxy-4-Ethoxybenzene SCHEMBL12476725 0.77 LTA4H (0.86) NQO1TSHRTDP1LTA4HPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119585335-A Resin composition 味之素株式会社 2025-03-07 CN disclosed
EP-0281991-B1 VINYL ETHERS AND FLUORINE-CONTAINING COPOLYMERS PREPARED THEREFROM DAIKIN INDUSTRIES, LIMITED (JP) 1993-07-14 EP disclosed
US-5066747-A Aqueous coating DAIKIN INDUSTRIES, LTD. (JP) 1991-11-19 US disclosed
US-4970331-A Vinyl ethers and fluorine-containing copolymers prepared therefrom DAIKIN INDUSTRIES, LTD. (JP) 1990-11-13 US disclosed
US-4952653-A POLYMERIZING A FLUOROOLEFIN, A NEUTRALIZED ACID-CONTAINING, ESTER-CONTAINING VINYL ETHER AND AN ACID-CONTAINING, ESTER-CONTAINING VINYL ETHER; STOICHIOMETRY DAIKIN INDUSTRIES, LTD. (JP) 1990-08-28 US disclosed
EP-0338498-A2 Process for preparing fluorine-containing copolymers DAIKIN INDUSTRIES, LIMITED (JP) 1989-10-25 EP disclosed