SCHEMBL13234516

SCHEMBL13234516

C=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccccc1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.41
▸ TSHR P16473 2/20 0.37
▸ CYP19A1 P11511 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SCN1A P35498 2/20 0.33
▸ SCN2A Q99250 2/20 0.33
▸ SCN3A Q9NY46 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL16093539 0.91 CA12 (0.39) MAOBALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL15942835 0.91 TSHR (0.41) MAOBTSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL12302214 0.88 SMN1; SMN2 (0.42) MAOBTSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL17399559 0.87 MEN1 (0.35) MAOBALDH1A1HSD17B10SMN1; SMN2MAPT
SCHEMBL9976333 0.87 SMN1; SMN2 (0.34) MAOBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17399555 0.83 PDK2 (0.35) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL21896322 0.83 MEN1 (0.31) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL21648614 0.82 CASP3 (0.35) ALDH1A1HSD17B10SMN1; SMN2MAPTMEN1
SCHEMBL17399556 0.81 PDK2 (0.37) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21648585 0.81 CA12 (0.34) PGRALDH1A1HSD17B10SMN1; SMN2MAPT

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-7749664-B2 Dye-containing resist composition and color filter using same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-06 — — US disclosed
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