SCHEMBL7292154

SCHEMBL7292154

CC(C)(C)C(=O)NCCCCCC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.45
EPHX1 P07099 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA3 P07451 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 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
SCHEMBL6446695 0.98 POLB (0.46) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL260600 0.92 POLB (0.47) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL26161761 0.86 EPHX1 (0.48) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL10633351 0.85 MEN1 (0.58) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL2845918 0.84 POLB (0.42) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL18622113 0.83 POLB (0.57) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL24709159 0.81 TSHR (0.40) EPHX1KDM4ETSHRMAPK1HIF1A
SCHEMBL9557113 0.81 MEN1 (0.73) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL9355210 0.79 POLB (0.57) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL27278838 0.79 ZDHHC20 (0.46) MEN1KMT2APOLBEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed