SCHEMBL8091676

SCHEMBL8091676

COC12CCC(c3ccc(C(=O)NC(CCCBr)OBOC(CCCBr)NC(=O)c4ccc(C56CCC(OC)(CC5)CC6)cc4)cc3)(CC1)CC2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
CCR1 P32246 1/20 0.32
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTGS2 P35354 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
SCHEMBL8091681 0.93 L3MBTL1 (0.32) L3MBTL1CCR1TAS1R3TAS1R1ALDH1A1
SCHEMBL8091555 0.90 CTSB (0.33) L3MBTL1CCR1TAS1R3TAS1R1ALDH1A1
SCHEMBL8083593 0.89 L3MBTL1 (0.32) L3MBTL1CCR1TAS1R3TAS1R1ALDH1A1
SCHEMBL8090117 0.87
SCHEMBL8090090 0.84 NPY4R (0.32) ALDH1A1RAB9ALMNA
SCHEMBL8098037 0.83 NOS3 (0.33) ALDH1A1HPGDHTTRAB9A
SCHEMBL8091556 0.82 CTSB (0.33) L3MBTL1CCR1TAS1R3TAS1R1ALDH1A1
SCHEMBL8083597 0.82 L3MBTL1 (0.31) L3MBTL1CCR1TAS1R3TAS1R1HTT
SCHEMBL8090118 0.80
SCHEMBL8098189 0.80 CTSB (0.32) L3MBTL1TAS1R3TAS1R1

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