SCHEMBL7543330

SCHEMBL7543330

CCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCNC(=O)CCCCCCCCCCCC1CCC(NC(=O)CCCCCCCCCCC)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.53
GNAO1 P09471 1/20 0.53
GNAI1 P63096 1/20 0.53
CASP2 P42575 1/20 0.50
EPHX1 P07099 10/20 0.49
EPHX2 P34913 5/20 0.49
FAAH O00519 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2318472 0.85 GNAI3 (0.57) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL22260401 0.83 CASP2 (0.56) CASP2EPHX1EPHX2FAAH
SCHEMBL25834507 0.83 CASP2 (0.56) CASP2EPHX1EPHX2FAAH
SCHEMBL28340804 0.81 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL1234276 0.81 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
Hexadecanoic Acid Cyclopropylamide SCHEMBL1456457 0.81 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL1457137 0.81 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL8361102 0.81 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL11571826 0.81 GNAI3 (0.75) GNAI3GNAO1GNAI1MEN1ALDH1A1
SCHEMBL25919001 0.81 EPHX1 (0.64) EPHX1EPHX2

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
WO-2002047628-A1 COMPOSITION STRUCTURED WITH A POLYMER CONTAINING A HETEROATOM AND AN ORGANOGELATOR L'ORÉAL (FR) 2002-06-20 WO claimed
WO-2002047628-A1 COMPOSITION STRUCTURED WITH A POLYMER CONTAINING A HETEROATOM AND AN ORGANOGELATOR L'ORÉAL (FR) 2002-06-20 WO disclosed