SCHEMBL6926751

SCHEMBL6926751

CCOC(=O)/C(C#N)=C/Nc1ccc(-c2nc3cc(C(C)(C)CC)ccc3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CETP P11597 6/20 0.47
DHODH Q02127 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 3/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL6926755 1.00 MAPT (0.47) MAPTRXFP1CETPDHODHALDH1A1
SCHEMBL2491908 0.77 DHODH (0.56) MAPTRXFP1DHODHALDH1A1KDM4E
SCHEMBL2491910 0.77 DHODH (0.56) MAPTRXFP1DHODHALDH1A1KDM4E
SCHEMBL3366096 0.73 ESR1 (0.62) MAPTALDH1A1TP53KDM4ENPC1
SCHEMBL14207487 0.72 HDAC6 (0.45) MAPTRXFP1CETPTP53NPC1
SCHEMBL3367118 0.71 UTRN (0.57) MAPTRXFP1CETPALDH1A1TP53
SCHEMBL6924910 0.71 RAB9A (0.67) MAPTRXFP1ALDH1A1TP53KDM4E
SCHEMBL3882978 0.71 ALDH1A1 (0.64) MAPTRXFP1DHODHALDH1A1KDM4E
SCHEMBL3882981 0.71 ALDH1A1 (0.64) MAPTRXFP1DHODHALDH1A1KDM4E
SCHEMBL3886468 0.71 ALDH1A1 (0.64) MAPTRXFP1DHODHALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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