SCHEMBL9739786

SCHEMBL9739786

CC1C(=O)C=C(OC(=O)c2ccc(OS(C)(=O)=O)cc2Cl)C2CCCCC12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
PPARA Q07869 1/20 0.33
NR1H4 Q96RI1 3/20 0.33
MAPT P10636 3/20 0.31
KMT2A Q03164 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 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
SCHEMBL9739192 0.92 ENPP3 (0.34) ENPP3ENPP1PPARANR1H4MAPT
SCHEMBL8699992 0.80 MAPT (0.33) ENPP3ENPP1PPARANR1H4MAPT
SCHEMBL10589667 0.73 MAPT (0.34) ENPP3ENPP1PPARANR1H4MAPT
SCHEMBL9738766 0.71 ENPP3 (0.31) ENPP3ENPP1NR1H4MAPTKMT2A
SCHEMBL9325335 0.69 ALDH1A1 (0.47) ENPP3ENPP1PPARANR1H4MAPT
SCHEMBL10384187 0.67 MAPT (0.44) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8700100 0.67 TSHR (0.50) PPARAMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL9738857 0.66 MMP2 (0.35) ENPP3ENPP1PPARAALDH1A1THRB
SCHEMBL8697053 0.65 ENPP3 (0.35) ENPP3ENPP1PPARAALDH1A1HPGD
SCHEMBL9323642 0.64 ENPP3 (0.41) ENPP3ENPP1PPARAMAPTKMT2A

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
US-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed
EP-0336898-A2 Substituted aryl or heteroaryl diones SANDOZ AG (CH) 1989-10-11 EP disclosed