SCHEMBL7045940

SCHEMBL7045940

CC[C@]1(c2ccccc2)C(=O)NC(=O)N(CCCCC(=O)O)C1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.61
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.55
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP9 P14780 2/20 0.44
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
FAAH O00519 1/20 0.40
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39

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
SCHEMBL9622341 1.00 CYP2C19 (0.61) CYP2C19LMNAKMT2AMMP2MMP3
SCHEMBL8749863 1.00 CYP2C19 (0.61) CYP2C19LMNAKMT2AMMP2MMP3
SCHEMBL8838995 0.96 CYP2C19 (0.62) CYP2C19LMNAKMT2AMMP2MMP3
SCHEMBL7799794 0.96 CYP2C19 (0.62) CYP2C19LMNAKMT2AMMP2MMP3
SCHEMBL9507072 0.91 CYP2C19 (0.65) CYP2C19LMNAKMT2AMMP2MMP3
SCHEMBL7776762 0.90 CYP2C19 (0.62) CYP2C19LMNAKMT2AMMP2MMP3
SCHEMBL7775183 0.88 CYP2C19 (0.51) CYP2C19LMNAKMT2AMMP2MMP9
SCHEMBL9621846 0.87 CYP2C19 (0.55) CYP2C19LMNAKMT2AMMP2MMP3
SCHEMBL7773269 0.87 CYP2C19 (0.50) CYP2C19LMNAKMT2ACYP1A2TSHR
SCHEMBL7776791 0.84 CYP2C19 (0.52) CYP2C19LMNAKMT2AMMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784795-B1 POST SYNTHESIS CHEMICAL MODIFICATION OF PARTICLE REAGENTS DADE BEHRING INC (US) 2003-04-02 EP disclosed
US-5854083-A Post synthesis chemical modification of particle reagents DADE BEHRING INC. (US) 1998-12-29 US disclosed
CN-1166205-A Post synthesis chemical modification of particle reagents DADE CHEMISTRY SYSTEMS INC (US) 1997-11-26 CN disclosed
EP-0784795-A1 POST SYNTHESIS CHEMICAL MODIFICATION OF PARTICLE REAGENTS Dade Chemistry Systems Inc. (US) 1997-07-23 EP disclosed
WO-1997006438-A1 POST SYNTHESIS CHEMICAL MODIFICATION OF PARTICLE REAGENTS DADE CHEMISTRY SYSTEMS INC. (US) 1997-02-20 WO disclosed
US-4244939-A RADIOIMMUNOASSAY BAXTER TRAVENOL LABORATORIES, INC. (US) 1981-01-13 US disclosed