SCHEMBL8044912

SCHEMBL8044912

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNA3 P22001 1/20 0.35
OPRM1 P35372 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
EGFR P00533 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR1 O14842 1/20 0.34
KMT2A Q03164 1/20 0.34
TSPO P30536 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8045896 0.87 CCR1 (0.41) L3MBTL1CYP4F2CYP4A11BRD4ALDH1A1
SCHEMBL8046467 0.87 CCR1 (0.41) L3MBTL1CYP4F2CYP4A11BRD4ALDH1A1
SCHEMBL8046393 0.87 L3MBTL1 (0.44) POLBL3MBTL1CYP4F2CYP4A11BRD4
SCHEMBL8046383 0.86 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1SMN1; SMN2KCNA3
SCHEMBL8035567 0.84 CA12 (0.40) POLBCYP4F2CYP4A11ALDH1A1KCNA3
SCHEMBL8053206 0.83 FAAH (0.44) CYP4F2CYP4A11ALDH1A1KCNA3OPRM1
SCHEMBL8044856 0.83 OPRM1 (0.48) POLBCYP4F2CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL8049892 0.83 OPRM1 (0.48) POLBCYP4F2CYP4A11ALDH1A1SMN1; SMN2
SCHEMBL8052628 0.83 HDAC1 (0.44) NR1H4
SCHEMBL8046405 0.82 SMN1; SMN2 (0.51) L3MBTL1BRD4SMN1; SMN2FFAR1KMT2A

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