SCHEMBL7768682

SCHEMBL7768682

COC(=O)c1c(-c2ccccc2)ccc2c1C=CC(c1ccccc1)(c1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
PRKCZ Q05513 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EGFR P00533 1/20 0.37
CNR2 P34972 1/20 0.36
FGFR1 P11362 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
SCHEMBL7847009 0.88 CA12 (0.39) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL6792314 0.85 CA12 (0.43) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL7770465 0.85 LMNA (0.35) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL7844950 0.84 KDM4E (0.36) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7764703 0.84 TP53 (0.37) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL7764765 0.84 TP53 (0.37) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL8117763 0.81 GRK6 (0.32) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL7836776 0.81 SMN1; SMN2 (0.32) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL9114805 0.80 KDM4E (0.40) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL6793677 0.79 KIF11 (0.37) HTTKMT2ALMNARAB9ANPC1

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-1112264-A1 POLYALKOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-07-04 EP disclosed
WO-2000015630-A1 POLYALKOXYLATED NAPHTHOPYRANS PPG INDUSTRIES OHIO, INC. (US) 2000-03-23 WO disclosed