SCHEMBL4518445

SCHEMBL4518445

OCCC#CCCCCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN7 P35236 3/20 0.31
HMGCR P04035 1/20 0.31
MIF P14174 1/20 0.31

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
SCHEMBL28747752 0.97 LMNA (0.38) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL10945268 0.93 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL4521757 0.90
SCHEMBL20597518 0.90 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL8029318 0.90 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL11674706 0.90 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL7033691 0.90 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL29043779 0.85 KDM4E (0.35) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL4534685 0.84
SCHEMBL3401234 0.82 ALDH1A1 (0.35) ALDH1A1KDM4ECYP1A2CYP3A4MAPT

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
US-7619125-B2 Hydrogenation promoter, hydrogenation catalyst, and process for producing alkene compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-11-17 US disclosed
US-20080033221-A1 Hydrogenation Promoter, Hydrogenation Catalyst, and Process for Producing Alkene Compound NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2008-02-07 US disclosed
US-4235823-A CATALYTIC OXIDATION OF GLYCOLS WITH SILVER OR COPPER CATALYST BASF AKTIENGESELLSCHAFT (DE) 1980-11-25 US disclosed