SCHEMBL5160384

SCHEMBL5160384

COC(=O)c1c2c(c3ccccc3c1OC)OC(c1ccccc1)(c1ccc(N3CCOCC3)cc1)C=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
MAPK1 P28482 1/20 0.37
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
POLB P06746 2/20 0.35
HCRTR1 O43613 1/20 0.35
RAC1 P63000 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL5158212 0.92 MAPT (0.43) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL3164927 0.90 MAPT (0.41) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL29565400 0.90 MAPT (0.41) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL7001887 0.88 EGFR (0.41) KMT2AMEN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8919915 0.84 MEN1 (0.38) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL12610521 0.84 MAPT (0.34) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL6169861 0.83 ATM (0.41) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL12610577 0.82 NR1H2 (0.33) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL3830804 0.81 ALDH1A1 (0.42) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL10106951 0.79 ATM (0.39) MAPTRAB9ANPC1KMT2AMEN1

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-1000025-B1 SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2007-02-21 EP claimed
US-5658500-A REVERSIBLE PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 1997-08-19 US claimed
EP-1000025-B1 SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2007-02-21 EP disclosed
US-5658500-A REVERSIBLE PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 1997-08-19 US disclosed