SCHEMBL8090105

SCHEMBL8090105

COC12CCC(c3ccc(C(=O)N[C@@H](CCCNC=N)B(O)O)cc3)(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.37
CTRB1 P17538 2/20 0.33
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
CCR1 P32246 1/20 0.31
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8090102 1.00 F2 (0.37) F2CTRB1HTTALDH1A1HPGD
SCHEMBL8095303 0.87 F2 (0.40) F2CTRB1ALDH1A1RAB9ACCR1
SCHEMBL8095297 0.87 F2 (0.40) F2CTRB1ALDH1A1RAB9ACCR1
SCHEMBL8083538 0.84 F2 (0.39) F2CTRB1ALDH1A1RAB9APOLB
SCHEMBL8083536 0.84 F2 (0.39) F2CTRB1ALDH1A1RAB9APOLB
SCHEMBL8091625 0.81 NPC1 (0.45) ALDH1A1HPGDRAB9APOLB
SCHEMBL8091620 0.79 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL7449235 0.78
Hydrochloric Acid SCHEMBL7449239 0.78 CCR1 (0.32) CCR1
SCHEMBL8090103 0.76 F2 (0.36) F2CTRB1ALDH1A1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed