SCHEMBL11095404

SCHEMBL11095404

COc1cc(Oc2ccccc2N)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
ADRA2B P18089 1/20 0.59
PTGS1 P23219 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 2/20 0.53
RCE1 Q9Y256 1/20 0.51
TUBB4A P04350 4/20 0.47
TUBB P07437 4/20 0.47
TUBA3C P0DPH7 4/20 0.47
TUBA1B P68363 4/20 0.47
TUBA4A P68366 4/20 0.47
TUBB4B P68371 4/20 0.47
TUBB3 Q13509 4/20 0.47
TUBB2A Q13885 4/20 0.47
TUBB8 Q3ZCM7 4/20 0.47
TUBA3E Q6PEY2 4/20 0.47
TUBA1A Q71U36 4/20 0.47
TUBA1C Q9BQE3 4/20 0.47

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
SCHEMBL1340875 0.82 GAA (0.61) ALDH1A1ADRA2BPTGS1TDP1GAA
SCHEMBL1340914 0.81 ALDH1A1 (0.63) ALDH1A1ADRA2BPTGS1TDP1TSHR
SCHEMBL29392357 0.80 GAA (0.67) ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2
SCHEMBL3684211 0.80 GAA (0.67) ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2
SCHEMBL8597510 0.80 AR (0.58) ALDH1A1TSHRSMN1; SMN2TUBB4ATUBB
SCHEMBL12474487 0.78 TUBB4A (0.55) ALDH1A1TDP1TSHRSMN1; SMN2TUBB4A
SCHEMBL31522163 0.77 ALDH1A1 (0.65) ALDH1A1ADRA2BPTGS1TDP1SMN1; SMN2
SCHEMBL1341128 0.77 ALDH1A1 (0.68) ALDH1A1ADRA2BPTGS1TDP1TSHR
SCHEMBL1339106 0.77 ALDH1A1 (0.61) ALDH1A1ADRA2BPTGS1TDP1GAA
SCHEMBL1340623 0.77 ALDH1A1 (0.74) ALDH1A1ADRA2BPTGS1TDP1TSHR

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
US-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0008226-B1 PHENYL-ALKANOIC ACID DERIVATIVES, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-02 EP disclosed
EP-0017484-A1 2-Imidazoline derivatives, process for the preparation thereof and the pharmaceutical composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-10-15 EP disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 EP disclosed