SCHEMBL8396369

SCHEMBL8396369

C[C@@H](N)CCNCCCCNC(=O)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 2/20 0.66
CA5A P35218 2/20 0.66
CA5B Q9Y2D0 2/20 0.66
CA14 Q9ULX7 2/20 0.66
CA12 O43570 1/20 0.66
CA2 P00918 1/20 0.66
CA4 P22748 1/20 0.66
CA6 P23280 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
EPHX1 P07099 1/20 0.53
HDAC6 Q9UBN7 1/20 0.38
PAOX Q6QHF9 1/20 0.36
DPP7 Q9UHL4 2/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL8656849 1.00 CA3 (0.66) CA3CA5ACA5BCA14CA12
SCHEMBL1274081 0.80 CA3 (1.00) CA3CA5ACA5BCA14CA12
SCHEMBL570465 0.80 CA3 (0.91) CA3CA5ACA5BCA14CA12
SCHEMBL10228415 0.80 CA3 (1.00) CA3CA5ACA5BCA14CA12
SCHEMBL12936102 0.80 CA3 (1.00) CA3CA5ACA5BCA14CA12
SCHEMBL524170 0.80 GABRP (0.41) CA3CA5ACA5BCA14CA12
SCHEMBL8396353 0.79 CA3 (0.47) CA3CA5ACA5BCA14CA12
SCHEMBL3142216 0.78 CA3 (0.95) CA3CA5ACA5BCA14CA12
SCHEMBL4530231 0.78 ALDH1A1 (0.69) CA3CA5ACA5BCA14CA12
SCHEMBL18502181 0.78 EPHX1 (0.79) CA3CA5ACA5BCA14CA12

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
US-5883132-A MULTISTAGE REACTION OF AMIDATION, ACTIVATION, COUPLING AND HYDROLYSIS FOURNIER INDUSTRIE ET SANTE (FR) 1999-03-16 US disclosed
EP-0755380-B1 15-DEOXYSPERGUALIN ANALOGS, THERAPEUTICAL USE THEREOF, AND METHOD FOR PREPARING SAME FOURNIER IND & SANTE (FR) 1998-10-14 EP disclosed
EP-0755380-A1 15-DEOXYSPERGUALIN ANALOGS, THERAPEUTICAL USE THEREOF, AND METHOD FOR PREPARING SAME FOURNIER INDUSTRIE ET SANTE (FR) 1997-01-29 EP disclosed
WO-1996024579-A1 15-DEOXYSPERGUALIN ANALOGS, THERAPEUTICAL USE THEREOF, AND METHOD FOR PREPARING SAME FOURNIER INDUSTRIE ET SANTE (FR) 1996-08-15 WO disclosed