SCHEMBL11279932

SCHEMBL11279932

[CH2]COC(C)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.37
SLC6A4 P31645 1/20 0.37
GAA P10253 3/20 0.36
MAOA P21397 2/20 0.36
PTGS1 P23219 1/20 0.36
CA4 P22748 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL11447473 0.84 KDM4E (0.39) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL997422 0.81 LMNA (0.46) KDM4EMTNR1AMTNR1BLMNASLC6A4
Ethylene SCHEMBL27839740 0.80 LMNA (0.41) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL542873 0.79 KDM4E (0.50) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL6743527 0.79 LMNA (0.44) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL11609960 0.79 CA4 (0.41) KDM4EMTNR1AMTNR1BLMNAPOLB
Ethylene SCHEMBL27839738 0.79 LMNA (0.41) KDM4EMTNR1AMTNR1BLMNAPOLB
SCHEMBL4191032 0.78 LTA4H (0.41) KDM4EMTNR1AMTNR1BLMNASLC6A4
SCHEMBL2398262 0.78 TSHR (0.43) KDM4EMTNR1AMTNR1BLMNAPOLB
Ethylene SCHEMBL27857509 0.77 KDM4E (0.37) KDM4EMTNR1AMTNR1BLMNAPOLB

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
EP-0045354-A1 A method of dyeing and printing hydrophobic fibrous materials, and azo dyestuffs suitable therefor CASSELLA Aktiengesellschaft (DE) 1982-02-10 EP disclosed
US-4213757-A PHTHALOCYANINE DYES CONTAINING SULFONAMIDE GROUPS BASF AKTIENGESELLSCHAFT (DE) 1980-07-22 US disclosed