SCHEMBL28040248

SCHEMBL28040248

CCCCCCCCC(CC)CC1CC[CH]CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 5/20 0.34
TDP1 Q9NUW8 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL1825503 0.93 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL22292462 0.80 LMNA (0.36) LMNAALDH1A1TDP1PRSS1PRSS2
SCHEMBL9978912 0.77 ALDH1A1 (0.36) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL25688620 0.77 LMNA (0.40) LMNAALDH1A1KMT2A
SCHEMBL20543381 0.76 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL2458694 0.76 ALDH1A1 (0.46) LMNAALDH1A1KMT2A
SCHEMBL31509052 0.74 CYP1A2 (0.48) LMNAALDH1A1KMT2A
SCHEMBL5050660 0.74 CYP1A2 (0.48) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL18922333 0.73 GNAO1 (0.41) LMNAALDH1A1TDP1
SCHEMBL29449305 0.72 ALDH1A1 (0.35) LMNAALDH1A1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104995169-A FRICTION MODIFIER AND LUBRICATING-OIL COMPOSITION JX NIPPON OIL & ENERGY CORP 2015-10-21 CN disclosed