SCHEMBL8639403

SCHEMBL8639403

CC#CC(CCCC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
TSHR P16473 4/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
CA2 P00918 4/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL9379337 0.90 SPHK1 (0.41) DNM1TSHRCYP3A4FDPSLMNA
SCHEMBL16347471 0.90 ALDH1A1 (0.36) DNM1TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL9374804 0.90 SPHK1 (0.41) DNM1TSHRCYP3A4FDPSLMNA
SCHEMBL14989365 0.90 SPHK1 (0.41) DNM1TSHRCYP3A4FDPSLMNA
SCHEMBL9363153 0.90 SPHK1 (0.41) DNM1TSHRCYP3A4FDPSLMNA
SCHEMBL3888311 0.90 SPHK1 (0.41) DNM1TSHRCYP3A4FDPSLMNA
SCHEMBL20331217 0.87 OPRM1 (0.37) DNM1TSHRCYP3A4FDPSLMNA
SCHEMBL7804872 0.82
SCHEMBL4368043 0.80 SPHK1 (0.39) DNM1TSHRCYP3A4FDPSLMNA
SCHEMBL28189222 0.80 ALDH1A1 (0.33) TSHRALDH1A1CYP3A4

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-0652209-B1 Derivatives of N-epsilon alkoxy-or alkenoxy-carbonyl lysine, their preparation and use in cosmetic, pharmaceutical, hygiene or alimentary compositions OREAL (FR) 1998-04-08 EP disclosed
EP-0652209-A1 Derivatives of N-episilon alkoxy-or alkenoxy-carbonyl lysine, their preparation and use in cosmetic, pharmaceutical, hygiene or alimentary compositions L'OREAL (FR) 1995-05-10 EP disclosed