SCHEMBL11696233

SCHEMBL11696233

CCOC(C)OC(CC)Nc1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 3/20 0.37
NPC1 O15118 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PSMB5 P28074 1/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL11697331 0.71 ALDH1A1 (0.41) SMN1; SMN2RAB9AGAAALDH1A1CYP1A2
SCHEMBL9359370 0.69 TDP1 (0.54) SMN1; SMN2RAB9AGAAALDH1A1CYP1A2
SCHEMBL4594822 0.69 ALDH1A1 (0.48) SMN1; SMN2RAB9AGAAALDH1A1CYP1A2
SCHEMBL13845307 0.69 PPARG (0.50) RAB9AGAACYP1A2NPC1KDM4E
SCHEMBL4411802 0.69 RAB9A (0.51) SMN1; SMN2RAB9AGAAALDH1A1CYP1A2
SCHEMBL4411805 0.69 RAB9A (0.51) SMN1; SMN2RAB9AGAAALDH1A1CYP1A2
SCHEMBL4424175 0.68 DHODH (0.48) SMN1; SMN2RAB9AGAAALDH1A1CYP1A2
SCHEMBL7736363 0.68 L3MBTL1 (0.48) SMN1; SMN2RAB9AGAAALDH1A1CYP3A4
SCHEMBL1493202 0.67 CYP1A2 (0.46) SMN1; SMN2RAB9AGAAALDH1A1CYP1A2
SCHEMBL3999085 0.67 KCNH3 (0.47) SMN1; SMN2RAB9AGAAALDH1A1CYP1A2

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-4000985-A DISAZO MORTON-NORWICH PRODUCTS, INC. (US) 1977-01-04 US disclosed