SCHEMBL9689386

SCHEMBL9689386

CC(/C=C/C=C(\C)C1OCC(C)(C)CO1)=C\CO

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
USP2 O75604 1/20 0.39
RBP4 P02753 1/20 0.39
APP P05067 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SNCA P37840 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9688380 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1NR1I2USP2
SCHEMBL9688375 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMEN1NR1I2USP2
SCHEMBL7082297 0.81 LMNA (0.36) ALDH1A1MAPTNR1I2ALOX15TSHR
SCHEMBL7082300 0.81 LMNA (0.36) ALDH1A1MAPTNR1I2ALOX15TSHR
SCHEMBL8755938 0.80
SCHEMBL8755929 0.80
SCHEMBL8755941 0.80
SCHEMBL9209961 0.80
SCHEMBL9689416 0.80 ALDH1A1 (0.38) ALDH1A1MAPTAPPCYP3A4ALOX15
SCHEMBL9209967 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282760-B1 PROCESS FOR THE PREPARATION OF POLYENE ALDEHYDES BASF Aktiengesellschaft (DE) 1992-06-17 EP disclosed
US-5118866-A PREPARATION OF POLYENE ALDEHYDES BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
EP-0282760-A2 Process for the preparation of polyene aldehydes BASF Aktiengesellschaft (DE) 1988-09-21 EP disclosed