SCHEMBL6131949

SCHEMBL6131949

COC(=O)c1cc(OC(C)=O)c2ccccc2c1-c1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
MAPT P10636 8/20 0.49
TP53 P04637 7/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
CNR2 P34972 1/20 0.46
PIK3CG P48736 1/20 0.45
RAB9A P51151 3/20 0.43

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
SCHEMBL6131960 0.87 KDM4E (0.46) KDM4EMAPTTP53ALDH1A1MEN1
SCHEMBL9899201 0.83 NR4A2 (0.46) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1009498 0.83 TSHR (0.48) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL1334088 0.82 DHODH (0.53) KDM4EMAPTALDH1A1KMT2ATSHR
SCHEMBL3137352 0.81 SLC6A3 (0.49) KDM4EMAPTTP53ALDH1A1KMT2A
SCHEMBL6201688 0.81 HSD17B10 (0.43) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL4037029 0.78 FABP4 (0.40) KDM4EMAPTTP53ALDH1A1MEN1
SCHEMBL3333120 0.77 KDM4E (0.54) KDM4EMAPTTP53ALDH1A1MEN1
SCHEMBL9899016 0.76 NR4A2 (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6170794 0.75 PLA2G2A (0.44) KDM4EMAPTTP53ALDH1A1TSHR

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
EP-1214310-B1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-04-27 EP disclosed
EP-1214310-A1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-06-19 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
WO-2001019812-A1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-03-22 WO disclosed