SCHEMBL8114367

SCHEMBL8114367

COC(=O)CCC(=O)c1ccc(CCCCNC(C)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.49
THRB P10828 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
KDM4E B2RXH2 1/20 0.45
F13A1 P00488 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL8110213 0.99 THRA (0.51) THRATHRBSMN1; SMN2MTNR1AMTNR1B
SCHEMBL11133179 0.90 SMN1; SMN2 (0.48) THRATHRBSMN1; SMN2MTNR1AMTNR1B
SCHEMBL9661496 0.90 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1POLBMAPTRAB9A
SCHEMBL11133895 0.89 SMN1; SMN2 (0.47) THRATHRBSMN1; SMN2MTNR1AMTNR1B
SCHEMBL11130533 0.89 SMN1; SMN2 (0.47) THRATHRBSMN1; SMN2MTNR1AMTNR1B
SCHEMBL9331035 0.86 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1POLBMAPTRAB9A
SCHEMBL11473795 0.85 SMN1; SMN2 (0.55) THRATHRBSMN1; SMN2ALDH1A1POLB
SCHEMBL9813840 0.84 THRA (0.60) THRATHRBRAB9ACYP4F2CYP4A11
SCHEMBL9331570 0.82 SMN1; SMN2 (0.62) SMN1; SMN2MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL11472210 0.81 SMN1; SMN2 (0.60) SMN1; SMN2MTNR1AMTNR1BALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751132-B1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 2000-08-30 EP disclosed
US-5808065-A AMIDATION OF THE CORRESPONDING AMINE COMPOUND TANABE SEIYAKU CO., LTD. (JP) 1998-09-15 US disclosed
US-5698554-A PREVENTING AND TREATING NEPHRITIS, ENDOTOXIC SHOCK TANABE SEIYAKU CO., LTD. (JP) 1997-12-16 US disclosed
EP-0751132-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-01-02 EP disclosed