SCHEMBL5677780

SCHEMBL5677780

CCCCCCCCNc1ccc(CCCC)c2cc(O)c(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ IDO1 P14902 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ NAAA Q02083 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ BID P55957 3/20 0.38
▸ MCL1 Q07820 3/20 0.38
▸ BCL2L1 Q07817 2/20 0.38

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
SCHEMBL5678993 0.94 TYR (0.42) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL5676824 0.82 IDO1 (0.43) MAPTIDO1CNR1CNR2NAAA
SCHEMBL5920313 0.80 CYP3A4 (0.31) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL4869166 0.79 MEN1 (0.30) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL5678097 0.78 CNR1 (0.38) HTTIDO1CNR1CNR2NAAA
SCHEMBL5680114 0.76 TYR (0.53) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9464309 0.72 IDO1 (0.56) CYP3A4MAPTTSHRIDO1CNR1
SCHEMBL5920717 0.72 TYR (0.44) TYRALOX5HTTIDO1NAAA
SCHEMBL10407902 0.72 CNR2 (0.44) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL17284926 0.71 HTR1A (0.44) CNR2HCAR3

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-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 — — EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 — — WO disclosed
Send feedback