SCHEMBL6096838

SCHEMBL6096838

COc1ccc(Oc2c[c]ccc2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
BACE1 P56817 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL27272353 0.95 LTA4H (0.50) LTA4HNCOA1NCOA3ALDH1A1NPC1
SCHEMBL27652302 0.89 LTA4H (0.47) LTA4HALDH1A1NPC1RAB9AMEN1
SCHEMBL8129827 0.89 NCOA1 (0.47) LTA4HNCOA1NCOA3ALDH1A1MEN1
SCHEMBL6098407 0.84 MAPT (0.42) NCOA1NCOA3ALDH1A1NPC1RAB9A
SCHEMBL693820 0.83 CA12 (0.39) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL9775715 0.82 AR (0.44) LTA4HALDH1A1GAAPOLBL3MBTL1
SCHEMBL9268604 0.82 ABL1 (0.42) MAPTKMT2ABACE1CYP1A2CYP2C9
SCHEMBL6777000 0.81 CYP1A1 (0.41) LTA4HALDH1A1MEN1MAPTKMT2A
SCHEMBL6099374 0.81 NCOA1 (0.51) LTA4HNCOA1NCOA3ALDH1A1NPC1
SCHEMBL6098760 0.81 KIF11 (0.43) NCOA1NCOA3ALDH1A1RAB9AMAPT

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-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed