SCHEMBL9768614

SCHEMBL9768614

CCOc1ccc(OCC(C)Oc2ccc(OCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.58
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LTA4H P09960 2/20 0.45
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PARP10 Q53GL7 1/20 0.41
RELA Q04206 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL9348566 0.93 NQO1 (0.50) NQO1TSHRTDP1KDM4EALDH1A1
SCHEMBL9343776 0.93 NQO1 (0.50) NQO1TSHRTDP1KDM4EALDH1A1
SCHEMBL9768704 0.93 LTA4H (0.58) NQO1LTA4HRELAHPGDMAPT
SCHEMBL9344357 0.93 NQO1 (0.50) NQO1TSHRTDP1KDM4EALDH1A1
SCHEMBL9348181 0.91 NQO1 (0.48) NQO1TSHRTDP1LTA4HALDH1A1
SCHEMBL9768738 0.91 NQO1 (0.48) NQO1TSHRTDP1LTA4HALDH1A1
4-Ethoxy-1-Propoxybenzene SCHEMBL10438867 0.85 NQO1 (0.42) NQO1TSHRLTA4HKDM4EALDH1A1
SCHEMBL13198599 0.85 NQO1 (0.61) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL9869517 0.85 NQO1 (0.61) NQO1TSHRTDP1LTA4HKDM4E
SCHEMBL8641671 0.83 USP2 (0.46) TSHRKDM4ENPSR1USP2MAPT

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-4994431-A Containing colorless dye precursor, color developer and 1-alkoxy-phenoxy-2-aryloxypropane sensitizer; preservation stability, high sensitivity FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 US disclosed
EP-0357409-A2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1990-03-07 EP disclosed