SCHEMBL14280670

SCHEMBL14280670

ICc1ccc(CCOCCOCC(COCC(COCC(COCCOCCc2ccc(CI)cc2)OCCOc2ccc(CI)cc2)OCCOc2ccc(CI)cc2)OCCOc2ccc(CI)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
APP P05067 4/20 0.34
HTT P42858 1/20 0.34
PLA2G2A P14555 3/20 0.33
POLB P06746 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
FFAR1 O14842 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL14280652 0.93 HTT (0.37) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL14280641 0.93 HTT (0.37) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL14280646 0.91
SCHEMBL14280662 0.81 HTT (0.36) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL14280665 0.80
SCHEMBL14280618 0.78 APP (0.47) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL14280658 0.77 ADRB2 (0.35) MEN1LMNAMAPK1KMT2AADRB2
SCHEMBL14280649 0.77 ADRB2 (0.35) MEN1LMNAMAPK1KMT2AADRB2
SCHEMBL14168915 0.73 APP (0.44) APPHRH3LTA4H
SCHEMBL14280616 0.71 KDM4E (0.50) MEN1USP2ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021185-A1 initiator systems; block polymers of vinyl acetate, vinyl alcohol, or polyvinyl butyral; use as water-soluble films, biodegradable and water-soluble polymers, detergents, in adhesives and as emulsifier; e.g. star polyethylene glycol modified with polyvinyl alcohol groups through a phenylene spacer CELANESE VENTURES GMBH (DE) 2008-01-24 US disclosed