SCHEMBL29042467

SCHEMBL29042467

CCCCCCCCC1(Br)CC=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
MMP2 P08253 4/20 0.33
MMP9 P14780 4/20 0.33
MMP3 P08254 1/20 0.33
SIGMAR1 Q99720 4/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
SETD7 Q8WTS6 1/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 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
SCHEMBL7064342 0.80 KDM4E (0.36) KDM4EPKMMMP2MMP9MMP3
SCHEMBL21385037 0.76 KDM4E (0.31) KDM4EPKMMMP2MMP9MMP3
SCHEMBL2161308 0.73 KDM4E (0.35) KDM4EPKMOPRM1OPRL1
SCHEMBL9848988 0.72 CES2 (0.33) KDM4EPKMOPRK1MEN1KMT2A
SCHEMBL10581338 0.70 KDM4E (0.34) KDM4EPKM
SCHEMBL6760414 0.70 KDM4E (0.37) KDM4EPKMMMP2MMP9MMP3
SCHEMBL18818367 0.70 THRA (0.35) KDM4EALDH1A1
SCHEMBL11127956 0.69 KDM4E (0.36) KDM4EPKMMMP2MMP9MMP3
SCHEMBL6057108 0.68 KDM4E (0.38) KDM4EPKMMMP2MMP9MMP3
SCHEMBL10393002 0.67 KDM1A (0.33)

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-116496313-A Preparation method of chemical synthesis type high-temperature heat conduction oil 山东欧孚润滑科技有限公司 2023-07-28 CN claimed
CN-116496313-A Preparation method of chemical synthesis type high-temperature heat conduction oil 山东欧孚润滑科技有限公司 2023-07-28 CN disclosed
CN-116496313-A Preparation method of chemical synthesis type high-temperature heat conduction oil 山东欧孚润滑科技有限公司 2023-07-28 CN disclosed