SCHEMBL7784203

SCHEMBL7784203

COc1cc2c3c(c4c(c2cc1OC)-c1ccccc1C4=O)OC(c1ccccc1)(c1ccccc1)C=C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
USP2 O75604 2/20 0.40
KDM4E B2RXH2 2/20 0.40
DUSP3 P51452 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
MAPK1 P28482 2/20 0.36
ADORA2A P29274 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
FGB P02675 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 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
SCHEMBL5101461 0.81 MEN1 (0.33) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5097868 0.81 NR3C1 (0.32)
SCHEMBL7784212 0.81 PDK2 (0.31) BCHEIDO1SIRT1
SCHEMBL7793584 0.80 NR3C1 (0.33) MEN1KMT2AALDH1A1KDM4EGPR84
SCHEMBL7789943 0.79 PDK2 (0.34) BCHEGPR84SIRT1
SCHEMBL7132115 0.78 PDE4D (0.40) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4010989 0.77 HSD17B10 (0.34) MEN1KMT2AMAPTALDH1A1USP2
SCHEMBL14444797 0.77 DRD2 (0.34) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13766143 0.77 DRD2 (0.34) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL5108070 0.76 HCAR2 (0.31) GPR84SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042312-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHO[2,1-b]PYRANS TRANSITIONS OPTICAL INC (US) 2001-11-07 EP claimed
EP-1042312-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHO[2,1-b]PYRANS TRANSITIONS OPTICAL INC (US) 2001-11-07 EP disclosed
US-5869658-A POLYMERIC ORGANIC HOST MATERIALS THAT CONTAIN OR THAT ARE COATED WITH THE NOVEL NAPHTHOPYRAN COMPOUNDS, LENSES PPG INDUSTRIES, INC. (US) 1999-02-09 US disclosed