SCHEMBL9053089

SCHEMBL9053089

CCCCc1[c]ccc(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PTGS2 P35354 1/20 0.37
AHR P35869 1/20 0.35
GHSR Q92847 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
APOBEC3A P31941 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.33
DCTPP1 Q9H773 1/20 0.33

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
SCHEMBL462206 0.95 PTGS2 (0.42) PTGS2AHRGHSRGPR84L3MBTL1
SCHEMBL7400862 0.89 DRD2 (0.35) HRH3MAPTDRD2SIGMAR1TAAR1
SCHEMBL6570683 0.82 HRH2 (0.45) HRH2HRH3MAPK1SMN1; SMN2
SCHEMBL457740 0.81 CA1 (0.35) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9627150 0.81 LTA4H (0.35) PTGS2MAPTALDH1A1MEN1LMNA
SCHEMBL10748671 0.80 TAAR1 (0.49) MAPTMEN1KMT2AHTR2ACYP1A2
SCHEMBL8917172 0.80 TAAR1 (0.36) HRH3ALDH1A1CYP1A2SIGMAR1TAAR1
SCHEMBL7386695 0.80 CYP2D6 (0.41) HRH3PTGS2MAPTLMNAMAPK1
SCHEMBL8183757 0.79 ALDH1A1 (0.36) ALDH1A1HPGDKMT2ASMN1; SMN2HTR2A
SCHEMBL6638432 0.77 HTR2A (0.44) L3MBTL1HTR2ACYP1A2CYP2D6CYP2C9

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
EP-3083649-A1 BRIDGED BIS(INDENYL) TRANSITIONAL METAL COMPLEXES, PRODUCTION, AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2016-10-26 EP disclosed
WO-2015095188-A1 BRIDGED BIS(INDENYL) TRANSITIONAL METAL COMPLEXES, PRODUCTION, AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-06-25 WO disclosed
WO-1996016115-A9 COEXTRUSION PROCESS FOR ETHYLENE BASED POLYMERS AND COMPOSITIONS THEREFOR 1996-07-18 WO disclosed
US-5166116-A Coordination catalysts of phosphine, group 8 metal, protons and sulfonate SHELL OIL COMPANY (US) 1992-11-24 US disclosed
US-5128475-A PREPARATION OF AMIDES SHELL OIL COMPANY (US) 1992-07-07 US disclosed