SCHEMBL28064340

SCHEMBL28064340

CCCCCCC(Cc1ccccc1)(C(C)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
EPHX2 P34913 2/20 0.43
CETP P11597 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.40
SCN5A Q14524 3/20 0.40
SCN9A Q15858 3/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PKM P14618 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10424311 0.89 SMN1; SMN2 (0.46) MMP1MMP9MMP13EPHX2CETP
SCHEMBL9806342 0.84 MMP1 (0.46) MMP1MMP9MMP13EPHX2CETP
SCHEMBL7761470 0.84 MMP1 (0.46) MMP1MMP9MMP13EPHX2CETP
SCHEMBL28570454 0.80 ALDH1A1 (0.49) CETPGAASCN5ASCN9ACES2
SCHEMBL5385328 0.80 ALDH1A1 (0.49) CETPGAASCN5ASCN9ACES2
SCHEMBL10869954 0.80 ALDH1A1 (0.49) CETPGAASCN5ASCN9ACES2
SCHEMBL355604 0.80 ALDH1A1 (0.49) CETPGAASCN5ASCN9ACES2
SCHEMBL11305185 0.80 ALDH1A1 (0.49) CETPGAASCN5ASCN9ACES2
SCHEMBL28018022 0.79 ALDH1A1 (0.47) CETPGAASCN5ASCN9ACES2
SCHEMBL27769117 0.79 MMP1 (0.44) MMP1MMP9MMP13EPHX2CETP

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
CN-104004489-B A kind of preparation of liquid optical cement of anti-yellowing change 江苏矽时代材料科技有限公司 2016-06-08 CN claimed