SCHEMBL5861696

SCHEMBL5861696

CC(=CCO)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@]1(C)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
TRPV1 Q8NER1 1/20 0.48
TRPA1 O75762 2/20 0.44
TTL Q8NG68 5/20 0.37
UGT2B7 P16662 5/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL4781025 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL21617318 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL29542590 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL4780814 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL15514413 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL3970172 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL12260912 1.00 ALDH1A1 (0.57) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL26830899 0.91 ALDH1A1 (0.56) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL19537585 0.91 ALDH1A1 (0.56) ALDH1A1MEN1CYP3A4MAPTKMT2A
SCHEMBL26831180 0.91 ALDH1A1 (0.56) ALDH1A1MEN1CYP3A4MAPTKMT2A

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
US-RE39061-E1 Lipid lamellar compounds and plant extracts mixture MEDEXIS S.A. (GR) 2006-04-11 US disclosed