SCHEMBL8087451

SCHEMBL8087451

C=CN(CCCCCCCCCCCCCCCC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ZDHHC20 Q5W0Z9 2/20 0.40
ZDHHC2 Q9UIJ5 2/20 0.40
FAAH O00519 3/20 0.38
HPGD P15428 1/20 0.38
DNM1 Q05193 1/20 0.37
PAM P19021 2/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
EPHX2 P34913 2/20 0.35
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35

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
SCHEMBL11492347 1.00 TSHR (0.41) TSHRZDHHC20ZDHHC2FAAHHPGD
SCHEMBL28769986 0.85 ALDH1A1 (0.36) TSHRHPGD
SCHEMBL8087449 0.80 ZDHHC20 (0.42) TSHRZDHHC20ZDHHC2FAAHDNM1
SCHEMBL11325370 0.79 FAAH (0.47) TSHRFAAHEPHX2
SCHEMBL28060856 0.79 FAAH (0.47) TSHRFAAHEPHX2
SCHEMBL8079065 0.79 FAAH (0.47) TSHRFAAHEPHX2
SCHEMBL11707427 0.78 ZDHHC20 (0.44) TSHRZDHHC20ZDHHC2FAAHDNM1
SCHEMBL8092281 0.78 ZDHHC20 (0.44) TSHRZDHHC20ZDHHC2FAAHDNM1
SCHEMBL12512731 0.78 ZDHHC20 (0.44) TSHRZDHHC20ZDHHC2FAAHDNM1
SCHEMBL1469534 0.78 ZDHHC20 (0.44) TSHRZDHHC20ZDHHC2FAAHEPHX2

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
EP-1050565-A2 Method of hydrophobisation and preparations for carrying out said method BASF AKTIENGESELLSCHAFT (DE) 2000-11-08 EP disclosed