SCHEMBL7525879

SCHEMBL7525879

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(ccc4cc(N(CCCN(C)C)CCCN(C)C)ccc34)O2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
SLC6A4 P31645 1/20 0.31
HTR2A P28223 1/20 0.31
HIF1A Q16665 1/20 0.30
EDNRA P25101 1/20 0.30
TERT O14746 1/20 0.30

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
SCHEMBL7527648 0.85
SCHEMBL7523714 0.80 HTT (0.32)
SCHEMBL4670884 0.79 KDM1A (0.35) HIF1AEDNRA
SCHEMBL7527650 0.78
SCHEMBL7119512 0.78 KDM1A (0.39) HIF1AEDNRA
SCHEMBL5264237 0.74 CYP1A2 (0.41) POLBHTR2A
Benzene SCHEMBL7254417 0.74 AKR1C3 (0.34) HIF1A
SCHEMBL5615531 0.74 ALDH1A1 (0.43) HIF1AEDNRA
SCHEMBL8140932 0.74 HIF1A (0.30) HIF1A
SCHEMBL7723531 0.73 CYP11B1 (0.41)

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-1037885-B1 NOVEL WATER SOLUBLE PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2002-03-27 EP claimed
EP-1037885-B1 NOVEL WATER SOLUBLE PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL INC (US) 2002-03-27 EP disclosed