SCHEMBL7889591

SCHEMBL7889591

C=CCOC(=O)C(=CNCCCCC)C(=O)OCC=C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
EPHX1 P07099 6/20 0.39
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH7 P40394 2/20 0.39
ADH4 P08319 1/20 0.39
HPGD P15428 1/20 0.35
FAAH O00519 2/20 0.35
CYP3A4 P08684 1/20 0.33
PLA2G2C Q5R387 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
SCHEMBL5055068 0.83 CYP2D6 (0.61) ALDH1A1CYP2D6SMN1; SMN2EPHX1ADH1B
SCHEMBL8843355 0.81 TSHR (0.43) TSHRALDH1A1CYP2D6SMN1; SMN2ZDHHC20
SCHEMBL8843360 0.81 TSHR (0.43) TSHRALDH1A1CYP2D6SMN1; SMN2ZDHHC20
SCHEMBL8760455 0.76 TSHR (0.50) TSHRZDHHC20ZDHHC2EPHX1FAAH
SCHEMBL18741294 0.74 TSHR (0.60) TSHRALDH1A1SMN1; SMN2ZDHHC20ZDHHC2
SCHEMBL29940 0.73 ACHE (0.56) TSHRZDHHC20ZDHHC2EPHX1
SCHEMBL6449183 0.73 TSHR (0.58) TSHRALDH1A1EPHX1HPGDFAAH
SCHEMBL5366068 0.73 TSHR (0.46) TSHRZDHHC20ZDHHC2EPHX1FAAH
SCHEMBL6332081 0.72 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1
SCHEMBL8769221 0.72 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1

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-6172232-B1 Light stabilizers based on sterically hindered amines CLARIANT GMBH (DE) 2001-01-09 US disclosed