SCHEMBL3463450

SCHEMBL3463450

C=CCOC(=O)NNCCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
EPHX1 P07099 6/20 0.41
HDAC1 Q13547 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
ACHE P22303 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37

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 0.83 ACHE (0.56) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL6332081 0.81 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL8769159 0.81 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL27357894 0.81 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL8769221 0.81 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL6332791 0.81 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL14328774 0.81 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL8769636 0.81 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL10349440 0.81 EPHX1 (0.59) TSHRZDHHC20ZDHHC2EPHX1ACHE
SCHEMBL11090012 0.80 EPHX1 (0.47) EPHX1HDAC1HDAC3HDAC2ACHE

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
WO-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed