SCHEMBL13611378

SCHEMBL13611378

COc1ccc(Cc2c[nH]c(C)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP2D6 P10635 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL11771733 0.87 LTA4H (0.46) LTA4HALDH1A1CYP2D6ATMNPSR1
SCHEMBL10424271 0.82 LTA4H (0.44) LTA4HALDH1A1CYP2D6ATMSMN1; SMN2
SCHEMBL4439445 0.82 ALDH1A1 (0.51) LTA4HALDH1A1CYP2D6ATMNPSR1
SCHEMBL13604292 0.81 LTA4H (0.43) LTA4HALDH1A1CYP2D6ATMPOLB
Hydrogen Sulfide SCHEMBL5799744 0.80 LTA4H (0.56) LTA4HALDH1A1CYP2D6ATML3MBTL1
SCHEMBL16020932 0.79 MAPT (0.38) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA
SCHEMBL82538 0.79 TAAR1 (0.43) ALDH1A1L3MBTL1MAPK1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL11105345 0.78 ALDH1A1 (0.44) LTA4HALDH1A1CYP2D6ATMNPSR1
Water SCHEMBL10981448 0.77 TAAR1 (0.42) ALDH1A1L3MBTL1MAPK1POLBSMN1; SMN2
Fluoride SCHEMBL28059937 0.76 TAAR1 (0.41) ALDH1A1L3MBTL1MAPK1POLBSMN1; SMN2

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-7625921-B2 Modulators of the glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed