SCHEMBL8102879

SCHEMBL8102879

CCCCCCCCCCCCCCCCCCOC(C)OC(C)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.50
THRB P10828 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
LPAR1 Q92633 5/20 0.38
LPAR3 Q9UBY5 5/20 0.38
LPAR2 Q9HBW0 1/20 0.38
USP2 O75604 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37

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
SCHEMBL250770 0.97 DNM1 (0.46) DNM1THRBTSHRMEN1HTT
SCHEMBL17789989 0.91 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL17789956 0.91 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL17789997 0.91 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL17789968 0.91 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL17789970 0.91 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL17789967 0.91 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL17789959 0.91 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL17789966 0.91 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3
SCHEMBL17789958 0.91 DNM1 (0.47) DNM1THRBTSHRLPAR1LPAR3

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-1035825-A2 HAIR COLORANT PREPARATION Henkel Kommanditgesellschaft auf Aktien (DE) 2000-09-20 EP claimed
WO-1999029285-A2 HAIR COLORANT PREPARATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-17 WO claimed