SCHEMBL5776615

SCHEMBL5776615

CCOC(=O)Oc1[nH]c2ccccc2c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
HCRTR1 O43613 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43

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
SCHEMBL5775281 0.84 KDM4E (0.48) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9264435 0.83 KDM4E (0.49) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL5812465 0.82 ALOX15 (0.54) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9236381 0.81 KDM4E (0.47) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9573791 0.80 TUBB4A (0.46) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3198815 0.78 ALOX15 (0.68) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL29744098 0.76 KDM4E (0.53) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1557504 0.75 KDM4E (0.55) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL5774466 0.74 ALOX15 (0.46) MEN1KMT2AHPGDTSHRALOX15
Phosphine SCHEMBL23422273 0.74 ALOX15 (0.66) KDM4EALDH1A1MAPTRAB9ATUBB4A

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
EP-1472221-B1 SUBSTITUTED INDOLES, METHOD FOR PRODUCTION AND USE THEREOF FOR THE INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2006-03-22 EP disclosed