SCHEMBL8693545

SCHEMBL8693545

CCO/C=C(\C(=O)OCC)C(=O)c1cnc(Cl)c(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.41
KMT2A Q03164 7/20 0.36
MEN1 O00255 6/20 0.36
MAPT P10636 5/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
GLO1 Q04760 1/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
GPR35 Q9HC97 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL7849855 1.00 NPSR1 (0.41) NPSR1KMT2AMEN1MAPTALDH1A1
SCHEMBL7849939 0.89 NPSR1 (0.39) NPSR1KMT2AMEN1MAPTALDH1A1
SCHEMBL8692747 0.89 NPSR1 (0.39) NPSR1KMT2AMEN1MAPTALDH1A1
SCHEMBL8693549 0.85 NPSR1 (0.42) NPSR1KMT2AMEN1MAPTALDH1A1
SCHEMBL7850181 0.82 NPSR1 (0.45) NPSR1KMT2AMEN1MAPTALDH1A1
SCHEMBL3694140 0.81 NPSR1 (0.40) NPSR1KMT2AMEN1MAPTALDH1A1
SCHEMBL20240759 0.81 NPSR1 (0.40) NPSR1KMT2AMEN1MAPTALDH1A1
SCHEMBL3694142 0.81 NPSR1 (0.40) NPSR1KMT2AMEN1MAPTALDH1A1
SCHEMBL8200819 0.81 NPSR1 (0.41) NPSR1KMT2AMEN1MAPTALDH1A1
SCHEMBL8695480 0.79 NPSR1 (0.43) NPSR1KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed