SCHEMBL7913283

SCHEMBL7913283

CCC(CC)CCCOc1ccc(-c2nc(-c3ccc(OCCCC(CC)CC)cc3)nc(-c3ccc(OCCCC(CC)CC)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C19 P33261 5/20 0.45
CYP2C9 P11712 4/20 0.45
CYP19A1 P11511 3/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP2D6 P10635 4/20 0.45
HPGD P15428 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 3/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 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
SCHEMBL4430185 0.83 NPC1 (0.44) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL14257518 0.82 RAB9A (0.66) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL5163597 0.81 MAPT (0.44) NPC1KDM4ESMN1; SMN2HSD17B10CYP2C19
SCHEMBL5550293 0.80 GAA (0.42) KDM4ESMN1; SMN2HSD17B10CYP2C19MAPT
SCHEMBL13539892 0.79 RAB9A (0.62) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL28131880 0.78 ACACB (0.61) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL5546836 0.78 TP53 (0.37) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL17212283 0.78 NPC1 (0.40) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL7100996 0.77 NPC1 (0.46) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL7097844 0.77 LTA4H (0.44) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10

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-6217856-B1 SUNSCREEN AGENTS CIBA SPECIALTY CHEMICALS CORPORATION 2001-04-17 US disclosed