SCHEMBL3367158

SCHEMBL3367158

C#CCOc1ccc(-c2nc3cc(C(C)(C)CC)ccc3o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
GFER P55789 1/20 0.46
MAPT P10636 9/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
F2RL3 Q96RI0 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
RXFP1 Q9HBX9 4/20 0.42
UTRN P46939 2/20 0.41
CETP P11597 1/20 0.41
ACHE P22303 1/20 0.41
TP53 P04637 4/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL3367118 0.84 UTRN (0.57) RAB9ANPC1GFERMAPTF2RL3
SCHEMBL3367116 0.83 RAB9A (0.50) RAB9ANPC1GFERMAPTF2RL3
SCHEMBL10061930 0.82 SMN1; SMN2 (0.63) RAB9ANPC1MAPTMAOAMAOB
SCHEMBL3366096 0.79 ESR1 (0.62) RAB9ANPC1GFERMAPTF2RL3
SCHEMBL6924910 0.79 RAB9A (0.67) RAB9ANPC1GFERMAPTF2RL3
SCHEMBL14207489 0.78 MAPT (0.41) RAB9ANPC1GFERMAPTF2RL3
SCHEMBL2318439 0.76 CHRNB4 (0.57) RAB9ANPC1MAPTMAOAMAOB
SCHEMBL20462910 0.76 MAPT (0.50) RAB9ANPC1GFERMAPTCHRNB4
SCHEMBL14207487 0.76 HDAC6 (0.45) RAB9ANPC1GFERMAPTF2RL3
SCHEMBL20461232 0.74 MAPT (0.53) RAB9ANPC1GFERMAPTCHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521798-B1 SUNSCREENS DSM IP ASSETS BV (NL) 2010-01-27 EP disclosed
US-20060160976-A1 Sunscreens DSM IP ASSETS B.V. (NL) 2006-07-20 US disclosed
EP-1521798-A1 SUNSCREENS DSM IP Assets B.V. (NL) 2005-04-13 EP disclosed
WO-2004007592-A1 SUNSCREENS DSM IP ASSETS B.V. (NL) 2004-01-22 WO disclosed