SCHEMBL11240771

SCHEMBL11240771

O=C(O)OCC(OC(=O)O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
EPHX1 P07099 1/20 0.35
TSHR P16473 3/20 0.33
LMNA P02545 4/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
TP53 P04637 2/20 0.31
MEN1 O00255 2/20 0.31
MITF O75030 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 2/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 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
SCHEMBL17791666 0.79 ALDH1A1 (0.38) ALDH1A1EPHX1TSHRLMNACYP1A2
SCHEMBL4463804 0.79 SHBG (0.43) ALDH1A1EPHX1TSHRLMNACYP1A2
SCHEMBL3469911 0.79 ALDH1A1 (0.38) ALDH1A1EPHX1TSHRLMNACYP1A2
SCHEMBL4476053 0.77 SHBG (0.40) ALDH1A1EPHX1TSHRLMNACYP1A2
SCHEMBL17791663 0.77 ALDH1A1 (0.35) ALDH1A1EPHX1
SCHEMBL28943266 0.76 ALDH1A1 (0.40) ALDH1A1EPHX1TSHRLMNACYP1A2
SCHEMBL8618781 0.76 TDP1 (0.42) ALDH1A1EPHX1TSHRLMNATP53
SCHEMBL3469918 0.76 ALDH1A1 (0.38) ALDH1A1EPHX1TSHRLMNACYP1A2
SCHEMBL17867661 0.75 ALDH1A1 (0.38) ALDH1A1EPHX1TSHRLMNACYP1A2
SCHEMBL29037418 0.73 ALDH1A1 (0.36) ALDH1A1EPHX1TSHRLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103087222-A Olefin polymerization catalyst, process for producing olefin polymer, polypropylene resin composition and article comprising the same SUMITOMO CHEMICAL CO 2013-05-08 CN disclosed
US-4344881-A Process for making alkylene carbonates THE DOW CHEMICAL COMPANY (US) 1982-08-17 US disclosed