SCHEMBL8161809

SCHEMBL8161809

COC(=O)CNc1ccc(OC)cc1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ KDM4E B2RXH2 9/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ GAA P10253 4/20 0.50
▸ GLA P06280 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ NR4A2 P43354 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 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
SCHEMBL1731137 0.81 ALDH1A1 (0.62) KMT2ANPC1KDM4ECYP1A2CYP2C19
SCHEMBL5097172 0.79 KDM4E (0.58) MEN1KMT2ANPC1KDM4ECYP1A2
SCHEMBL28329030 0.78 ALDH1A1 (0.58) KMT2AKDM4ECYP1A2CYP2C19CYP2D6
SCHEMBL7435213 0.78 KDM4E (0.66) MEN1KMT2ANPC1KDM4ECYP1A2
SCHEMBL14176213 0.78 KDM4E (0.57) MEN1KMT2ANPC1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL5097168 0.78 KDM4E (0.57) MEN1KMT2ANPC1KDM4ECYP1A2
SCHEMBL13475490 0.77 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10488011 0.76 SMN1; SMN2 (0.46) MEN1KMT2ANPC1KDM4EGAA
SCHEMBL7759533 0.75 POLB (0.58) MEN1KMT2ANPC1KDM4ECYP1A2
SCHEMBL28327817 0.75 KDM4E (0.50) MEN1KMT2AKDM4ECYP1A2CYP2C19

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-6071946-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM, SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS ADIR ET COMPAGNIE (FR) 2000-06-06 — — US disclosed
US-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 — — US disclosed
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