SCHEMBL28805342

SCHEMBL28805342

CCCCC(CC)Cc1ccc2cc3ccccc3cc2c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MMP1 P03956 1/20 0.33
MMP7 P09237 1/20 0.33
ACE P12821 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
BDKRB2 P30411 1/20 0.33
TACR3 P29371 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL29023631 0.83 ALDH1A1 (0.38) ALDH1A1CA2CYP3A4KDM4EMMP1
SCHEMBL6656942 0.82 ALDH1A1 (0.37) ALDH1A1CA2CYP3A4KDM4EMMP1
SCHEMBL7534153 0.80 ALDH1A1 (0.40) ALDH1A1CA2CYP3A4KDM4EMMP1
SCHEMBL3723664 0.76 CYP1A2 (0.42) ALDH1A1CA2CYP3A4ACEBDKRB2
SCHEMBL3731374 0.76 CYP1A2 (0.42) ALDH1A1CA2CYP3A4ACEBDKRB2
SCHEMBL29080838 0.76 L3MBTL1 (0.42) ALDH1A1CA2CYP3A4KDM4ETACR3
SCHEMBL735130 0.75 ALDH1A1 (0.38) ALDH1A1CA2CYP3A4KDM4ENCEH1
SCHEMBL29094106 0.75 BDKRB2 (0.36) ALDH1A1CYP3A4KDM4EBDKRB2LMNA
SCHEMBL27918262 0.75 BDKRB2 (0.36) ALDH1A1CYP3A4KDM4EBDKRB2LMNA
SCHEMBL15301082 0.75 BDKRB2 (0.47) ALDH1A1CA2CYP3A4KDM4EACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103270111-B Composition and block copolymer 住友化学株式会社 2016-07-20 CN disclosed
CN-103270111-A Composition and block copolymer SUMITOMO CO LTD 2013-08-28 CN disclosed
CN-103270077-A MACROMOLECULAR COMPOUND AND ORGANIC EL ELEMENT USING SAME SUMITOMO CHEMICAL CO 2013-08-28 CN disclosed