SCHEMBL9650464

SCHEMBL9650464

CCCc1ccc(-c2ncc(C(=O)OCC)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
THRB P10828 2/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
TP53 P04637 2/20 0.46
MAOB P27338 2/20 0.45
RARB P10826 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
PDGFRB P09619 1/20 0.44

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
SCHEMBL11613368 0.92 ALDH1A1 (0.52) MAPTRAB9ANPC1LMNAHSD17B10
SCHEMBL11614827 0.90 RAB9A (0.58) MAPTRAB9ANPC1LMNAHSD17B10
SCHEMBL11616952 0.89 MAPT (0.60) MAPTRAB9ANPC1LMNAHSD17B10
SCHEMBL11614525 0.89 MAPT (0.60) MAPTRAB9ANPC1LMNAHSD17B10
SCHEMBL9694662 0.88 RARB (0.55) MAPTRAB9ANPC1LMNAHSD17B10
SCHEMBL11755996 0.88 MAPT (0.59) MAPTRAB9ANPC1LMNAHSD17B10
SCHEMBL19737251 0.83 CA12 (0.58) MAPTRAB9ANPC1LMNASMN1; SMN2
SCHEMBL4949564 0.82 POLB (0.54) MAPTRAB9ANPC1LMNAHSD17B10
SCHEMBL4636262 0.82 FOS (0.54) MAPTRAB9ANPC1LMNAHSD17B10
SCHEMBL9879844 0.82 ALDH1A1 (0.43) MAPTRAB9ANPC1LMNAHSD17B10

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
US-5112523-A High clearing point for liquid crystal displays CHISSO CORPORATION (JP) 1992-05-12 US disclosed
US-4874546-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1989-10-17 US disclosed
US-4066570-A OPTICAL CELLS, NEMATIC MIXTURES, LIQUID CRYSTALS HOFFMAN-LA ROCHE INC. (US) 1978-01-03 US disclosed
US-3997536-A LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1976-12-14 US disclosed