SCHEMBL3243536

SCHEMBL3243536

CCCCCCCCCCCCCOC(CC)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.45
SPHK1 Q9NYA1 1/20 0.42
LPAR1 Q92633 4/20 0.35
LPAR3 Q9UBY5 4/20 0.35
LPAR2 Q9HBW0 1/20 0.35
THRB P10828 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3247395 1.00 DNM1 (0.45) DNM1SPHK1LPAR1LPAR3LPAR2
SCHEMBL28988014 1.00 DNM1 (0.45) DNM1SPHK1LPAR1LPAR3LPAR2
SCHEMBL28984653 1.00 DNM1 (0.45) DNM1SPHK1LPAR1LPAR3LPAR2
SCHEMBL3966579 1.00 DNM1 (0.45) DNM1SPHK1LPAR1LPAR3LPAR2
SCHEMBL561147 1.00 DNM1 (0.45) DNM1SPHK1LPAR1LPAR3LPAR2
Ammonia Solution, Strong SCHEMBL5185843 0.98 DNM1 (0.44) DNM1SPHK1LPAR1LPAR3LPAR2
Cetostearyl Alcohol SCHEMBL936993 0.91 LMNA (0.46) DNM1SPHK1THRBTSHRMEN1
SCHEMBL25305244 0.89 CNR1 (0.49) SPHK1LPAR1LPAR3LPAR2
SCHEMBL9549590 0.86 DNM1 (0.48) DNM1SPHK1LPAR1LPAR3LPAR2
SCHEMBL9549569 0.86 DNM1 (0.48) DNM1SPHK1LPAR1LPAR3LPAR2

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-1748798-B1 ANTIMICROBIAL COMPOSITIONS AND USES THEREOF BAUSCH & LOMB (US) 2010-05-05 EP claimed
EP-1748798-B1 ANTIMICROBIAL COMPOSITIONS AND USES THEREOF BAUSCH & LOMB (US) 2010-05-05 EP disclosed