SCHEMBL8029318

SCHEMBL8029318

OCCCCCCCCCCCC#CCCCCC#CCCCCCCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MIF P14174 1/20 0.38
PTPN7 P35236 3/20 0.37
HMGCR P04035 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL11674706 1.00 ALDH1A1 (0.42) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL7033691 1.00 ALDH1A1 (0.42) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL20597518 1.00 ALDH1A1 (0.42) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL10945268 0.96 ALDH1A1 (0.41) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL28747752 0.94 LMNA (0.38) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL4526359 0.91 LMNA (0.36) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL4518445 0.90 ALDH1A1 (0.39) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL13285375 0.88 ALDH1A1 (0.39) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL1765934 0.87 HMGCR (0.41) ALDH1A1LMNATSHRHSD17B10MEN1
SCHEMBL1168913 0.87 HMGCR (0.41) ALDH1A1LMNATSHRHSD17B10MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640068-B1 SYNTHESIS OF COSMETIC INGREDIENT UNILEVER PLC (GB) 2000-03-08 EP disclosed
US-5451691-A Synthesis of cosmetic ingredients ELIZABETH ARDEN, CO., DIVISION OF CONOPCO, INC. (US) 1995-09-19 US disclosed
EP-0640068-A1 SYNTHESIS OF COSMETIC INGREDIENT UNILEVER PLC (GB) 1995-03-01 EP disclosed
WO-1993022281-A1 SYNTHESIS OF COSMETIC INGREDIENT UNILEVER PLC (GB) 1993-11-11 WO disclosed