SCHEMBL28488772

SCHEMBL28488772

CCCCCCCCCCCCCCCC(=O)NCCC(O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.62
DNM1 Q05193 2/20 0.59
CASP2 P42575 1/20 0.58
NAAA Q02083 1/20 0.55
LPAR2 Q9HBW0 1/20 0.54
HSP90AA1 P07900 1/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 2/20 0.51
SELP P16109 1/20 0.51
CNR1 P21554 2/20 0.51

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
SCHEMBL11899542 0.91 LPAR2 (0.67) FAAHLPAR2MEN1KMT2AEPHX2
SCHEMBL115414 0.89 FAAH (0.57) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL116565 0.89 FAAH (0.57) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL118314 0.89 FAAH (0.57) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL10689521 0.87 FAAH (0.61) FAAHDNM1CASP2NAAALPAR2
SCHEMBL13327297 0.87 CASP2 (0.67) FAAHDNM1CASP2NAAAEPHX2
SCHEMBL12101203 0.87 FAAH (0.59) FAAHDNM1CASP2NAAAMEN1
SCHEMBL5962432 0.86 FAAH (0.59) FAAHDNM1CASP2NAAALPAR2
SCHEMBL5962582 0.86 FAAH (0.71) FAAHDNM1CASP2NAAALPAR2
SCHEMBL5962504 0.86 FAAH (0.71) FAAHDNM1CASP2NAAALPAR2

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-111818934-A Dermatological product 西姆莱斯股份公司 2020-10-23 CN disclosed