SCHEMBL6131960

SCHEMBL6131960

COC(=O)c1cc(OC(C)=O)c2cc3c(cc2c1-c1ccccc1)OCCO3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 8/20 0.46
MAPT P10636 8/20 0.46
TP53 P04637 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CASP1 P29466 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP7 P55210 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 3/20 0.42

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
SCHEMBL4037029 0.90 FABP4 (0.40) KDM4EALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL6131949 0.87 KDM4E (0.49) KDM4EALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL1332988 0.85 KDM4E (0.46) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL31435276 0.85 KDM4E (0.46) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL1009498 0.84 TSHR (0.48) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL1011786 0.83 DHODH (0.45) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL9899016 0.82 NR4A2 (0.50) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9899201 0.82 NR4A2 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL8510685 0.80 PLA2G2A (0.51) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL3151462 0.80 MAPK8 (0.47) ALDH1A1MEN1KMT2AGAAL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214310-B1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-04-27 EP disclosed
US-6348604-B1 COMPOUNDS IN WHICH SELECTION AND PLACEMENT OF SUBSTITUENTS CONTROL WAVELENGTH AND/OR INTENSITY OF VISIBLE ABSORBANCE BANDS PPG INDUSTRIES OHIO, INC. 2002-02-19 US disclosed