SCHEMBL8760455

SCHEMBL8760455

C=CCOC(=O)C(=C)NCCCCC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ZDHHC20 Q5W0Z9 2/20 0.49
ZDHHC2 Q9UIJ5 2/20 0.49
EPHX1 P07099 8/20 0.43
FAAH O00519 2/20 0.41
ACHE P22303 3/20 0.40
CASP2 P42575 1/20 0.40

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
SCHEMBL29940 0.81 ACHE (0.56) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL5366068 0.80 TSHR (0.46) TSHRZDHHC20ZDHHC2EPHX1FAAH
SCHEMBL8769221 0.80 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL6332081 0.80 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL14328774 0.80 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL6332791 0.80 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL8769159 0.80 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL11519960 0.80 TSHR (0.61) TSHREPHX1ACHE
SCHEMBL10349440 0.80 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL8769636 0.80 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE

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-0592552-B1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES DU PONT (US) 1997-05-28 EP claimed
US-5559267-A ENANTIOMORPHS, STEREOCHEMICAL CONTROL AND ASSYMETRIC INDUCTION, HYDROGENATION OF UNSATURATED ESTERS, COORDINATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-24 US claimed
EP-0592552-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES. DU PONT (US) 1994-04-20 EP claimed