SCHEMBL8035567

SCHEMBL8035567

CCOC(=O)CCCCCC(C#N)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KMT2A Q03164 1/20 0.39
MIF P14174 1/20 0.39
KCNA3 P22001 1/20 0.38
OPRM1 P35372 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH2 P05091 2/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL8046383 0.91 CYP4F2 (0.40) CYP4F2CYP4A11KCNA3OPRM1ALDH1A1
SCHEMBL8053206 0.89 FAAH (0.44) CYP4F2CYP4A11KMT2AKCNA3OPRM1
SCHEMBL8049892 0.88 OPRM1 (0.48) CYP4F2CYP4A11KCNA3OPRM1ALDH1A1
SCHEMBL8044856 0.88 OPRM1 (0.48) CYP4F2CYP4A11KCNA3OPRM1ALDH1A1
SCHEMBL8046467 0.88 CCR1 (0.41) CYP4F2CYP4A11KMT2AKCNA3OPRM1
SCHEMBL8045896 0.88 CCR1 (0.41) CYP4F2CYP4A11KMT2AKCNA3OPRM1
SCHEMBL8046393 0.88 L3MBTL1 (0.44) CYP4F2CYP4A11ALDH1A1HSD17B10MAOB
SCHEMBL8046235 0.87 OPRM1 (0.49) CYP4F2CYP4A11KCNA3OPRM1ALDH1A1
SCHEMBL8047298 0.84 OPRM1 (0.44) CYP4F2CYP4A11KCNA3OPRM1ALDH1A1
SCHEMBL8044912 0.84 POLB (0.36) CYP4F2CYP4A11KMT2AKCNA3OPRM1

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-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed