SCHEMBL6924910

SCHEMBL6924910

CCC(C)(C)c1ccc2oc(-c3ccc(N)cc3)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.67
NPC1 O15118 13/20 0.67
GFER P55789 3/20 0.67
MAPT P10636 8/20 0.64
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.64
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
TP53 P04637 5/20 0.64
HPGD P15428 5/20 0.64
HSD17B10 Q99714 4/20 0.64
NFKB1 P19838 2/20 0.64
NFKB2 Q00653 2/20 0.64
RELA Q04206 2/20 0.64
RXFP1 Q9HBX9 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.57
CASP3 P42574 1/20 0.53
ATM Q13315 2/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL3366096 0.87 ESR1 (0.62) RAB9ANPC1GFERMAPTKDM4E
SCHEMBL2242200 0.86 RAB9A (0.84) RAB9ANPC1GFERMAPTKDM4E
SCHEMBL3367118 0.85 UTRN (0.57) RAB9ANPC1GFERMAPTKDM4E
SCHEMBL3367116 0.84 RAB9A (0.50) RAB9ANPC1GFERMAPTKDM4E
SCHEMBL24068960 0.83 NPC1 (0.50) RAB9ANPC1GFERMAPTKDM4E
SCHEMBL5376393 0.81 RAB9A (1.00) RAB9ANPC1GFERMAPTKDM4E
SCHEMBL13510329 0.80 MAPT (0.50) RAB9ANPC1GFERMAPTKDM4E
SCHEMBL3367158 0.79 RAB9A (0.46) RAB9ANPC1GFERMAPTKDM4E
SCHEMBL25769745 0.79 NPC1 (0.46) RAB9ANPC1GFERMAPTKDM4E
SCHEMBL7056554 0.78 F2RL3 (0.55) RAB9ANPC1GFERMAPTKDM4E

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-3578558-B1 HIGHLY EFFECTIVE PHOTOPROTECTIVE AGENTS 3V SIGMA SPA (IT) 2021-02-24 EP disclosed
EP-3578558-A1 HIGHLY EFFECTIVE PHOTOPROTECTIVE AGENTS 3V SIGMA S.p.A (IT) 2019-12-11 EP disclosed
US-6514485-B1 Combinations of sunscreens 3V SIGMA S.P.A. (IT) 2003-02-04 US disclosed
EP-1027883-A2 Combinations of sunscreen agents with UV-A and UV-B filtering properties 3V SIGMA S.p.A (IT) 2000-08-16 EP disclosed