SCHEMBL8729302

SCHEMBL8729302

C=CC(=O)OCCCCCCCCOc1ccc(-c2ccc(COc3ccc(C(=O)OCC)cc3OCc3ccc(-c4ccc(OCCCCCCCCOC(=O)C=C)cc4)nc3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
THRB P10828 2/20 0.42
TP53 P04637 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TNFRSF1A P19438 1/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8724364 0.94 MAPT (0.47) MAPTSMN1; SMN2THRBTP53RAB9A
SCHEMBL8728075 0.92 MAPT (0.45) MAPTSMN1; SMN2THRBTP53RAB9A
SCHEMBL8077449 0.90 MAPT (0.43) MAPTSMN1; SMN2THRBTP53RAB9A
SCHEMBL8067467 0.89 MAPT (0.39) MAPTSMN1; SMN2THRBTP53RAB9A
SCHEMBL8077421 0.87 SMN1; SMN2 (0.48) MAPTSMN1; SMN2THRBTP53RAB9A
SCHEMBL8729280 0.87 TNFRSF1A (0.41) MAPTSMN1; SMN2RAB9ANPC1TNFRSF1A
SCHEMBL8077314 0.83 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBL3MBTL1
SCHEMBL8077327 0.83 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBL3MBTL1
SCHEMBL8081986 0.83 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBL3MBTL1
SCHEMBL8080490 0.83 ALDH1A1 (0.46) MAPTSMN1; SMN2THRBL3MBTL1

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-5800733-A Photo cross-linkable liquid crystal derivatives ROLIC AG (CH) 1998-09-01 US disclosed