SCHEMBL2028779

SCHEMBL2028779

CC(C)(C)OC(=O)N(N)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
DGAT1 O75907 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA14 Q9ULX7 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL1771686 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2DGAT1NFKB1
SCHEMBL1706932 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2DGAT1NFKB1
SCHEMBL8356008 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1NFKB1
SCHEMBL12258769 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1NFKB1
SCHEMBL1793739 0.77 ATM (0.30)
SCHEMBL432112 0.77 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1NFKB1
SCHEMBL28097176 0.77 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1NFKB1
SCHEMBL15719423 0.77 ALDH1A1 (0.32) DGAT1
SCHEMBL10023648 0.75 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
Hydrochloric Acid SCHEMBL5679482 0.75 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147283-B1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR XA INHIBITOR NORTH CHINA PHARMACEUTICAL COMPANY LTD (CN) 2022-08-17 EP disclosed
CN-109776464-A The preparation method of furan tebufenozide, intermediate and preparation method thereof 江苏省农药研究所股份有限公司 2019-05-21 CN disclosed
EP-3147283-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR North China Pharmaceutical Company., Ltd. (CN) 2017-03-29 EP disclosed
EP-2516434-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed