SCHEMBL10489459

SCHEMBL10489459

O=C(C[C@@H]1CC2CC[C@H]1C2)C[C@@H]1CC2CC[C@H]1C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
HPGD P15428 2/20 0.44
P2RX7 Q99572 1/20 0.44
SIRT5 Q9NXA8 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPHX2 P34913 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
SCHEMBL11603597 1.00 MEN1 (0.56) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL11612777 0.88 MEN1 (0.44) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL32688604 0.88 MEN1 (0.50) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL32688743 0.85 MEN1 (0.47) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL32688826 0.85 MEN1 (0.47) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL1527314 0.84 MEN1 (0.54) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL189532 0.84 MEN1 (0.54) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL1785153 0.84 MEN1 (0.54) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL20573107 0.84 MEN1 (0.54) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL20573120 0.84 MEN1 (0.54) MEN1KMT2ARAB9ANPC1HPGD

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
US-4868337-A Optically active borinic esters and ketones ALDRICH-BORANES, INC. (US) 1989-09-19 US disclosed
US-4795821-A Optically active borinic esters and ketones ALDRICH-BORANES, INC. (US) 1989-01-03 US disclosed