SCHEMBL6527993

SCHEMBL6527993

CCOc1ccc(-c2coc(CC(=O)O)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 3/20 0.49
MITF O75030 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
ALPL P05186 1/20 0.47
RAB9A P51151 5/20 0.46
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
AKR1B1 P15121 1/20 0.42

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
SCHEMBL13335153 0.79 AKR1B1 (0.59) KDM4ELMNAPOLBAKR1B1
SCHEMBL6527987 0.76 ENPP1 (0.47) MEN1KMT2ATP53RAB9ANPC1
SCHEMBL12243297 0.76 PLA2G4B (0.52) TP53ALPLRAB9ANPC1ALDH1A1
SCHEMBL6628100 0.76 ADRB1 (0.42) RAB9ANPC1SMN1; SMN2KDM4EHPGD
SCHEMBL6492917 0.75 ADRB1 (0.39) MEN1TP53POLBTHRBTDP1
SCHEMBL19626581 0.75 ENPP3 (0.66) MEN1KMT2ATP53RAB9ANPC1
SCHEMBL6488755 0.75 ENPP3 (0.50) MEN1KMT2ATP53RAB9ANPC1
SCHEMBL23135332 0.74 SMN1; SMN2 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6647862 0.74 ENPP3 (0.52) MEN1KMT2ATP53ALDH1A1SMN1; SMN2
SCHEMBL15711821 0.74 ENPP3 (0.46) MEN1KMT2ARAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864268-B2 β3 adrenergic receptor agonists PFIZER INC. (US) 2005-03-08 US disclosed