SCHEMBL10808294

SCHEMBL10808294

COC(=O)CC(NC(=O)C1CCCCCC1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 1/20 0.47
PADI4 Q9UM07 1/20 0.47
TSHR P16473 2/20 0.43
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.38
EPHX1 P07099 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL10811375 1.00 PADI1 (0.47) PADI1PADI4TSHRMEN1KMT2A
SCHEMBL10809124 0.88 PADI1 (0.47) PADI1PADI4TSHRMEN1KMT2A
SCHEMBL10813060 0.85 PADI1 (0.45) PADI1PADI4TSHRMEN1KMT2A
SCHEMBL5209318 0.84 SMN1; SMN2 (0.47) PADI1PADI4TSHRMEN1KMT2A
SCHEMBL10808068 0.82 PADI1 (0.43) PADI1PADI4TSHRMEN1KMT2A
SCHEMBL10808220 0.79 HPGD (0.42) TSHRKMT2AEPHX1ALDH1A1
SCHEMBL10809089 0.79 TDP1 (0.40) PADI1PADI4TSHRMEN1KMT2A
SCHEMBL5113817 0.78 MEN1 (0.48) MEN1KMT2ALMNAEPHX1ALDH1A1
SCHEMBL15636544 0.78 MEN1 (0.41) PADI1PADI4MEN1KMT2ASMN1; SMN2
SCHEMBL13397295 0.76 PADI1 (0.39) PADI1PADI4MEN1KMT2ASMN1; SMN2

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-0096890-B1 OXAZOLEACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND COMPOSITIONS CONTAINING SAID DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1987-11-25 EP disclosed
US-4602027-A HYPOGLYCEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-07-22 US disclosed
EP-0096890-A2 Oxazoleacetic acid derivatives, process for their production and compositions containing said derivatives Takeda Chemical Industries, Ltd. (JP) 1983-12-28 EP disclosed