SCHEMBL5509920

SCHEMBL5509920

CC(C)(C(=O)OC(=O)CCc1ccccc1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ CTRB1 P17538 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ SSTR4 P31391 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ FAAH O00519 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
SCHEMBL27921259 0.75 TDP1 (0.62) TDP1ITGB3ITGA2BALDH1A1GBA1
SCHEMBL22373191 0.75 ITGB3 (0.40) TDP1ITGB3ITGA2BALDH1A1KMT2A
SCHEMBL22373000 0.75 ADRB2 (0.43) TDP1ITGB3ITGA2BKMT2AMEN1
SCHEMBL22374186 0.74 MAPT (0.42) ITGB3ITGA2BFAAH
Hydrochloric Acid SCHEMBL4072239 0.73 TDP1 (0.50) TDP1ITGB3ITGA2BHRH1KEAP1
SCHEMBL22374195 0.73 MAPT (0.44) ITGB3ITGA2BPRSS1FAAH
SCHEMBL9285630 0.72 KEAP1 (0.48) TDP1ITGB3ITGA2BALDH1A1L3MBTL1
SCHEMBL20288253 0.72 HTR2C (0.47) ITGB3ITGA2BALDH1A1
SCHEMBL26412465 0.71 HRH1 (0.42) ALDH1A1KMT2AMEN1LMNACYP2D6
SCHEMBL22372823 0.71 ITGB3 (0.41) TDP1ITGB3ITGA2BRECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753752-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD Takeda Pharmaceutical Company Limited (JP) 2007-02-21 — — EP disclosed
WO-2005121133-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-22 — — WO disclosed
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