Sugi Predict

Sugi Predict / Compounds / SCHEMBL6856984

SCHEMBL6856984

SCHEMBL6856984

CC(C)Oc1[c]c2ccccc2cc1.CC(C)Oc1[c]c2ccccc2cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ IRAK4 Q9NWZ3 2/20 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
SCHEMBL2257677 1.00 CYP1A2 (0.37) CYP1A2MAPTCYP2C9CYP2C19TLR8
SCHEMBL2214680 0.85 CYP1A2 (0.31) CYP1A2
SCHEMBL2214195 0.85 UGT2B7 (0.35) —
SCHEMBL27822818 0.82 MCHR1 (0.40) MAPTMCHR1
SCHEMBL637304 0.81 HTT (0.31) —
SCHEMBL6754650 0.81 — —
SCHEMBL2456163 0.80 LMNA (0.33) —
SCHEMBL15412161 0.79 CYP1A2 (0.31) CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL3237917 0.78 CA1 (0.30) —
SCHEMBL64917 0.78 CYP1A2 (0.40) CYP1A2MAPT

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-1414833-A1 NOVEL TRANSITION-METAL COMPLEXES AND USE THEREOF IN TRANSITION-METAL CATALYSED REACTIONS Bayer Chemicals AG (DE) 2004-05-06 — — EP disclosed
WO-2003011875-A1 NOVEL TRANSITION-METAL COMPLEXES AND USE THEREOF IN TRANSITION-METAL CATALYSED REACTIONS BAYER CHEMICALS AG (DE) 2003-02-13 — — WO disclosed