SCHEMBL7417462

SCHEMBL7417462

COc1cccc(-c2ccc(C[C@@H](C(=O)O)N(C)P(=O)(O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.51
MME P08473 2/20 0.50
SLC13A5 Q86YT5 1/20 0.46
MAOB P27338 2/20 0.45
FFAR1 O14842 5/20 0.45
TPH1 P17752 2/20 0.43
PTGDR Q13258 1/20 0.43
GNA15 P30679 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PTGER4 P35408 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42

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
SCHEMBL7411122 0.85 ALDH1A1 (0.52) MME
SCHEMBL7411480 0.78 PDCD1 (0.40) POLBKMT2A
SCHEMBL7417513 0.78 PPARG (0.55) MME
SCHEMBL7417475 0.77 MME (0.53) MMESLC13A5MAOBFFAR1PTGDR
SCHEMBL7417467 0.77 MME (0.53) MMESLC13A5MAOBFFAR1PTGDR
SCHEMBL7409300 0.77 LDHA (0.44)
SCHEMBL7361415 0.77 CYP1A2 (0.47)
SCHEMBL7361412 0.77 CYP1A2 (0.47)
SCHEMBL7345126 0.77 TPH1 (0.63) HSD17B2MMESLC13A5MAOBFFAR1
SCHEMBL7345132 0.77 TPH1 (0.63) HSD17B2MMESLC13A5MAOBFFAR1

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-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 US disclosed