SCHEMBL8466129

SCHEMBL8466129

CCCCOCC(COCCCC)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.35
CES1 P23141 1/20 0.35
NAAA Q02083 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL9075219 0.93 CYP1A2 (0.38) CYP1A2SMN1; SMN2TSHRCES1
SCHEMBL8464045 0.88 CYP1A2 (0.32) CYP1A2
SCHEMBL13517880 0.81 CYP1A2 (0.33) CYP1A2
SCHEMBL13517677 0.81 CYP1A2 (0.33) CYP1A2
SCHEMBL13517565 0.79 CYP1A2 (0.30) CYP1A2
SCHEMBL27524111 0.73
Cyclohexane SCHEMBL18261841 0.72 TSHR (0.60) CYP1A2SMN1; SMN2TSHRALDH1A1TDP1
Cyclopropane SCHEMBL29221483 0.72 TSHR (0.60) CYP1A2SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL9074255 0.72
SCHEMBL1516249 0.72 SMN1; SMN2 (0.43) SMN1; SMN2TSHRCES1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719798-B1 Process for the (co)polymerization of ethylene MONTELL TECHNOLOGY COMPANY BV (NL) 1999-07-14 EP claimed
EP-0719800-A1 Catalysts for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP claimed
EP-0719798-A1 Process for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP claimed
EP-0719798-B1 Process for the (co)polymerization of ethylene MONTELL TECHNOLOGY COMPANY BV (NL) 1999-07-14 EP disclosed
EP-0719800-A1 Catalysts for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP disclosed
EP-0719798-A1 Process for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP disclosed