SCHEMBL7022923

SCHEMBL7022923

CCCCC/C=C\C(C)OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH2 Q9NR71 1/20 0.48
PRKCA P17252 1/20 0.47
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
FAAH O00519 1/20 0.46
TERT O14746 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
APEX1 P27695 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7027317 1.00 ASAH2 (0.48) ASAH2PRKCAMEN1CYP3A4KMT2A
SCHEMBL7022930 1.00 ASAH2 (0.48) ASAH2PRKCAMEN1CYP3A4KMT2A
SCHEMBL8844592 0.93 F7 (0.51) PRKCAMEN1CYP3A4KMT2AFAAH
SCHEMBL28847936 0.87 TSHR (0.39) ASAH2PRKCACYP3A4USP2LMNA
SCHEMBL24004659 0.86 ASAH2 (0.44) ASAH2MEN1CYP3A4KMT2AFAAH
SCHEMBL15027033 0.85 LMNA (0.59) ASAH2PRKCAFAAHGMNNUSP2
SCHEMBL9997803 0.84 MEN1 (0.47) PRKCAMEN1CYP3A4KMT2AFAAH
SCHEMBL9997799 0.84 MEN1 (0.47) PRKCAMEN1CYP3A4KMT2AFAAH
SCHEMBL11149144 0.84 USP2 (0.41) ASAH2PRKCACYP3A4USP2LMNA
SCHEMBL11149146 0.84 USP2 (0.41) ASAH2PRKCACYP3A4USP2LMNA

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-0872467-B1 Process for the production of chiral unsaturated alcohols in high optical purity EASTMAN CHEM CO (US) 2003-01-22 EP disclosed
US-5886214-A CATALYTIC ASYMMETRIC HYDROGENATION OF ENOL ESTERS BEARING A VINYLLIC OR AN ACETYLENIC SUBSTITUENT BY USING A CHIRAL RHODIUM(I) HYDROGENATION CATALYST PREPARED FROM A SUITABLE RHODIUM SALT AND AN OPTICALLY PURE PHOSPHINE LIGAND EASTMAN CHEMICAL COMPANY (US) 1999-03-23 US disclosed
EP-0872467-A1 Process for the production of chiral unsaturated alcohols in high optical purity EASTMAN CHEMICAL COMPANY (US) 1998-10-21 EP disclosed