SCHEMBL7964778

SCHEMBL7964778

C=C(C=C(C)C(=O)O)C(=O)OCCO.C=C(CC)C(=O)OCCCCCC.C=C(CC=Cc1ccccc1)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 4/20 0.33
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 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
SCHEMBL7647263 0.92 KDM4E (0.38) KDM4ETDP1TSHRPOLBEGFR
SCHEMBL10940136 0.91 KDM4E (0.42) KDM4ETDP1TSHRPOLBEGFR
SCHEMBL10867479 0.90 KDM4E (0.45) KDM4ETDP1TSHRPOLBEGFR
SCHEMBL11501816 0.88 KDM4E (0.39) KDM4ETDP1TSHRPOLBALDH1A1
SCHEMBL3331594 0.88 KDM4E (0.43) KDM4ETDP1TSHRPOLBEGFR
SCHEMBL3810349 0.87 KDM4E (0.39) KDM4ETDP1TSHREGFRALDH1A1
Acrylic Acid SCHEMBL6383526 0.86 TSHR (0.41) KDM4ETDP1TSHRPOLBEGFR
SCHEMBL9701897 0.83 KDM4E (0.45) KDM4ETDP1TSHRPOLBALDH1A1
SCHEMBL7717061 0.83 KDM4E (0.46) KDM4ETDP1TSHRPOLBEGFR
SCHEMBL8412096 0.82 ALDH1A1 (0.42) KDM4EPOLBALDH1A1LMNASMN1; SMN2

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-6329127-B1 HALOGEN-RELEASING PRECURSOR HAVING AT LEAST ONE DISSOCIATIVE OR HYDROPHILIC SUBSTITUENT AND A SECOND HYDROPHOBIC HALOGEN-RELEASING PRECURSOR; FUJI PHOTO FILM CO., LTD. (JP) 2001-12-11 US disclosed