SCHEMBL7195441

SCHEMBL7195441

C=CCOC(=O)c1c(Br)cccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
RHOA P61586 1/20 0.43
SNCA P37840 1/20 0.42
ELANE P08246 1/20 0.42
FGFR1 P11362 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4973652 0.82 CYP3A4 (0.49) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL10385060 0.81 CYP3A4 (0.67) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL1442911 0.81 CYP3A4 (0.77) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL10779321 0.81 CYP3A4 (0.53) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL343095 0.80 CYP3A4 (0.76) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL9542688 0.79 CYP3A4 (0.54) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL3264446 0.79 CYP3A4 (0.63) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL289840 0.79 CYP3A4 (0.52) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL4439353 0.79 CYP3A4 (0.58) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL2830668 0.79 CYP3A4 (0.58) CYP3A4ALDH1A1HSD17B10TSHRRHOA

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
CN-1466598-A Plastic lens composition, plastic lens and method for producing the plastic lens �Ѻ͵繤��ʽ���� 2004-01-07 CN disclosed
WO-2003010566-A2 PLASTIC LENS MATERIAL, PLASTIC LENS COMPOSITION, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K. K. (JP) 2003-02-06 WO disclosed