SCHEMBL8778078

SCHEMBL8778078

COc1cccc(CN2CCc3cc(C(C)O)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.46
PTGER2 P43116 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TACR1 P25103 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CMA1 P23946 1/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL8777876 0.84 ALOX5 (0.51) PTGER4PTGER2SIGMAR1KDM4EALDH1A1
SCHEMBL29572755 0.80 SIGMAR1 (0.57) PTGER4PTGER2SIGMAR1KDM4EALDH1A1
SCHEMBL5661589 0.80 SIGMAR1 (0.57) PTGER4PTGER2SIGMAR1KDM4EALDH1A1
SCHEMBL9204868 0.77 ADRB3 (0.59) KDM4EALDH1A1HDAC1HDAC6ADRB2
SCHEMBL8815909 0.76 HDAC1 (0.56) SIGMAR1ALDH1A1HDAC1HDAC6ADRB2
SCHEMBL11045005 0.76 HDAC1 (0.48) PTGER4PTGER2SIGMAR1KDM4EALDH1A1
SCHEMBL4728356 0.75 MAPT (0.51) PTGER4PTGER2ALDH1A1HDAC1HDAC6
Hydrochloric Acid SCHEMBL10636985 0.75 HDAC1 (0.47) PTGER4PTGER2SIGMAR1KDM4EALDH1A1
SCHEMBL9089590 0.75 PTGER4 (0.49) PTGER4PTGER2KDM4EALDH1A1HDAC1
SCHEMBL8778079 0.75 PTGER4 (0.49) PTGER4PTGER2KDM4EALDH1A1HDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed
US-5541218-A Indolinyl N-hydroxyurea and N-hydroxamic acid derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-07-30 US disclosed
WO-1994002459-A1 INDOLINYL N-HYDROZYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-02-03 WO disclosed