SCHEMBL4555825

SCHEMBL4555825

C=CCO[C](C=C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
AKT1 P31749 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
RHOA P61586 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CHRM1 P11229 1/20 0.35
HPGD P15428 2/20 0.35
SNCA P37840 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
SCHEMBL6118207 0.79 CYP3A4 (0.52) CYP3A4ALDH1A1TSHRHSD17B10AKT1
SCHEMBL7898616 0.78 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRHSD17B10AKT1
SCHEMBL8693299 0.77 AKT1 (0.46) CYP3A4ALDH1A1TSHRAKT1MEN1
SCHEMBL21007 0.76 CYP3A4 (0.69) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL8423603 0.76 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRHSD17B10AKT1
Benzene SCHEMBL28207781 0.76 CYP3A4 (0.69) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL9243445 0.76 CYP3A4 (0.48) CYP3A4ALDH1A1TSHRHSD17B10AKT1
SCHEMBL28343462 0.76 CYP3A4 (0.69) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL1355708 0.74 CYP3A4 (0.67) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL7587574 0.74 CYP3A4 (0.67) CYP3A4ALDH1A1TSHRHSD17B10PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2122020-A1 WETTABLE POLYESTER FIBERS AND FABRICS Ciba Holding Inc. (CH) 2009-11-25 EP claimed
WO-2008090060-A1 WETTABLE POLYESTER FIBERS AND FABRICS CIBA HOLDING INC. (CH) 2008-07-31 WO claimed
US-20080176475-A1 Wettable polyester fibers and fabrics CIBA CORP. 2008-07-24 US claimed
EP-2122020-A1 WETTABLE POLYESTER FIBERS AND FABRICS Ciba Holding Inc. (CH) 2009-11-25 EP disclosed
EP-2122020-A1 WETTABLE POLYESTER FIBERS AND FABRICS Ciba Holding Inc. (CH) 2009-11-25 EP disclosed
WO-2008090060-A1 WETTABLE POLYESTER FIBERS AND FABRICS CIBA HOLDING INC. (CH) 2008-07-31 WO disclosed
WO-2008090060-A1 WETTABLE POLYESTER FIBERS AND FABRICS CIBA HOLDING INC. (CH) 2008-07-31 WO disclosed
US-20080176475-A1 Wettable polyester fibers and fabrics CIBA CORP. 2008-07-24 US disclosed
US-20080176475-A1 Wettable polyester fibers and fabrics CIBA CORP. 2008-07-24 US disclosed
EP-0412681-A1 Azolidine derivatives, process for preparing the same and agricultural and horticultural fungicide UBE INDUSTRIES, LTD. (JP) 1991-02-13 EP disclosed
EP-0378167-A1 Disperse dye composition useful for dyeing or printing hydrophobic fiber materials SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-07-18 EP disclosed