SCHEMBL5603532

SCHEMBL5603532

CCCCCc1ccc(-n2cccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.53
FAAH O00519 1/20 0.53
VHL P40337 1/20 0.52
ELOC Q15369 1/20 0.52
ELOB Q15370 1/20 0.52
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTR2A P28223 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50

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
SCHEMBL5601078 0.98 MGLL (0.56) MGLLFAAHVHLELOCELOB
SCHEMBL5602418 0.94 VHL (0.53) MGLLFAAHVHLELOCELOB
SCHEMBL5601606 0.86 VHL (0.57) MGLLVHLELOCELOBALDH1A1
SCHEMBL10568240 0.78 ESR1 (0.73) MGLLESR1ADRA2AADORA3TACR2
SCHEMBL181089 0.78 ESR1 (0.73) MGLLESR1ADRA2AADORA3TACR2
SCHEMBL5603565 0.77 VHL (0.61) MGLLVHLELOCELOBALDH1A1
SCHEMBL23849704 0.76 ESR1 (0.77) MGLLESR1ADRA2AADORA3TACR2
SCHEMBL6684861 0.76 ESR1 (0.77) MGLLESR1ADRA2AADORA3TACR2
SCHEMBL6681490 0.76 ESR1 (0.77) MGLLESR1ADRA2AADORA3TACR2
SCHEMBL2511615 0.76 ESR1 (0.77) MGLLESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
JP-5339231-A None JP disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
JP-H05339231-A PRODUCTION OF 1-@(3754/24)4-ACYLPHENYL)AZOLE FUJI PHOTO FILM CO LTD 1993-12-21 JP disclosed