SCHEMBL8923661

SCHEMBL8923661

CC(C)Oc1ccc(CC(NCP(=O)(O)O)c2nnn[nH]2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.44
MME P08473 1/20 0.44
AGTR2 P50052 1/20 0.44
ACACB O00763 2/20 0.37
POLB P06746 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
KDM4A O75164 1/20 0.35
MAPT P10636 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
FDPS P14324 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
NPC1 O15118 1/20 0.34
ALPL P05186 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
SCHEMBL8923644 1.00 ECE1 (0.44) ECE1MMEAGTR2ACACBPOLB
SCHEMBL9018510 0.83 ACACB (0.36) ECE1MMEAGTR2ACACBPOLB
SCHEMBL8921295 0.82 ECE1 (0.56) ECE1MMEAGTR2
SCHEMBL8921308 0.82 ECE1 (0.56) ECE1MMEAGTR2
SCHEMBL653011 0.81 ECE1 (0.67) ECE1MMEAGTR2
SCHEMBL8922567 0.77 ECE1 (0.49) ECE1MMEAGTR2
SCHEMBL8922631 0.77 ECE1 (0.49) ECE1MMEAGTR2
SCHEMBL8920353 0.74 ECE1 (0.48) ECE1MMEAGTR2
SCHEMBL8921282 0.74 ECE1 (0.48) ECE1MMEAGTR2
SCHEMBL8920954 0.73 ECE1 (0.52) ECE1MMEAGTR2

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
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