SCHEMBL8699180

SCHEMBL8699180

CCc1cc(OC(=O)Oc2ccccc2)c(OC)nc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
MAPT P10636 3/20 0.39
GRM1 Q13255 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTR1A P08908 1/20 0.35
PLA2G10 O15496 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL8699410 0.82 MAPT (0.40) HPGDMAPTGRM1GAASMN1; SMN2
SCHEMBL8701292 0.77 ALDH1A1 (0.43) GAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9016301 0.76 TAAR1 (0.52) GAA
SCHEMBL9058202 0.73 FAAH (0.47) GAA
SCHEMBL31105833 0.73 L3MBTL1 (0.43) HPGDMAPTALDH1A1KDM4E
SCHEMBL1230108 0.73 L3MBTL1 (0.43) HPGDMAPTALDH1A1KDM4E
SCHEMBL9016298 0.72 BRD4 (0.47) GAA
SCHEMBL3485047 0.71 PKM (0.53) MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL8699066 0.70 RAB9A (0.44) HPGDMAPTGAAPOLBALDH1A1
Propane SCHEMBL3801023 0.70 MAPT (0.48) HPGDMAPTALDH1A1USP2

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed