SCHEMBL11239147

SCHEMBL11239147

COc1c(C=O)cc2ccccc2c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.73
MCL1 Q07820 1/20 0.54
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42

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
SCHEMBL29428386 0.88 ERN1 (0.67) ERN1MCL1ALDH1A1KDM4EHPGD
SCHEMBL12127236 0.85 ERN1 (0.68) ERN1MCL1ALDH1A1KDM4EHPGD
SCHEMBL12767507 0.85 ERN1 (1.00) ERN1MCL1ALDH1A1KDM4EHPGD
SCHEMBL9310690 0.82 ERN1 (0.55) ERN1MCL1ALDH1A1KDM4EHPGD
SCHEMBL3563735 0.80 ERN1 (0.61) ERN1MCL1ALDH1A1KDM4EHPGD
SCHEMBL29428372 0.79 MAPT (0.61) ERN1MCL1ALDH1A1KDM4EHPGD
SCHEMBL30855494 0.78 MCL1 (0.72) ERN1MCL1ALDH1A1KDM4EMAPK1
SCHEMBL18517642 0.78 MCL1 (0.72) ERN1MCL1ALDH1A1KDM4EMAPK1
SCHEMBL29904951 0.78 ERN1 (0.62) ERN1MCL1ALDH1A1KDM4EHPGD
SCHEMBL30949367 0.76 ALDH1A1 (0.67) ERN1ALDH1A1KDM4EHPGDNPSR1

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-4341794-A ANIMAL GROWTH REGULATOR AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (FR) 1982-07-27 US disclosed