SCHEMBL4581846

SCHEMBL4581846

CC(C=O)=CCCC(C)CCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
LMNA P02545 1/20 0.46
BLM P54132 1/20 0.44
ALOX15 P16050 4/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.36
USP2 O75604 1/20 0.36
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
SNCA P37840 1/20 0.35
PDE3A Q14432 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL4581845 1.00 PTPN1 (0.47) PTPN1LMNABLMALOX15ALDH1A1
SCHEMBL1783484 0.84 KDM1A (0.40) PTPN1LMNABLMALOX15KDM1A
SCHEMBL1783485 0.84 KDM1A (0.40) PTPN1LMNABLMALOX15KDM1A
SCHEMBL1783297 0.84 ALOX15 (0.41) PTPN1ALOX15ALDH1A1KDM1ATSHR
SCHEMBL1783298 0.84 ALOX15 (0.41) PTPN1ALOX15ALDH1A1KDM1ATSHR
SCHEMBL16195315 0.84 ACE2 (0.44) ALOX15ALDH1A1USP2TSHR
SCHEMBL5949612 0.83 ALOX15 (0.49) PTPN1LMNABLMALOX15ALDH1A1
SCHEMBL6446508 0.83 PTPN1 (0.44) PTPN1LMNABLMALOX15MEN1
SCHEMBL1176310 0.83 ALOX15 (0.49) PTPN1LMNABLMALOX15ALDH1A1
SCHEMBL6446505 0.83 PTPN1 (0.44) PTPN1LMNABLMALOX15MEN1

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-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 EP disclosed