SCHEMBL13185437

SCHEMBL13185437

C#CC1(c2ccc(Cl)cc2)c2ccccc2-c2ccc(C(O)CCCCCCCCCCCCCCCCCCCCC)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.34
TP53 P04637 3/20 0.33
LTB4R Q15722 3/20 0.33
PDK2 Q15119 3/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 2/20 0.31
PNKP Q96T60 1/20 0.31
MAPK1 P28482 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALOX5 P09917 1/20 0.31
HPGD P15428 1/20 0.31
PTGS1 P23219 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
SCHEMBL10248260 0.83 MDM2 (0.39) MDM2TP53PDK2CYP1A2CYP2C19
SCHEMBL10249558 0.82 MDM2 (0.36) MDM2TP53LTB4RPDK2CYP1A2
SCHEMBL9814079 0.70 AOC3 (0.49) MMP2MMP9MMP12
SCHEMBL23588163 0.69 AOC3 (0.50) LMNASMN1; SMN2MMP2MMP9MMP12
SCHEMBL10249538 0.66 NPC1 (0.45) LTB4RCYP1A2CYP2C19MAPK1CYP3A4
SCHEMBL11621719 0.65 AOC3 (0.46) SMN1; SMN2MMP2MMP9
SCHEMBL13783741 0.64 CNR1 (0.46) MMP2
SCHEMBL13783740 0.64 CNR1 (0.46) MMP2
SCHEMBL13783739 0.64 CNR1 (0.46) MMP2
SCHEMBL6683963 0.64 AOC3 (0.52) ALDH1A1LMNASMN1; SMN2MMP2

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
WO-2010104169-A1 FLUORENE COMPOUND 味の素株式会社 (JP) 2010-09-16 WO disclosed