SCHEMBL11250438

SCHEMBL11250438

CCCCCC1(Oc2ccccc2)COC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 3/20 0.35
MMP3 P08254 2/20 0.35
OPRK1 P41145 2/20 0.33
MAOA P21397 2/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL464812 0.83 TDP1 (0.36) LTA4HMAOATDP1KDM1AMAOB
SCHEMBL11426432 0.73 TDP1 (0.34) HTR2CALDH1A1SMN1; SMN2TDP1KDM1A
SCHEMBL7721179 0.73 MMP2 (0.44) LTA4HMMP2MMP9MMP8MMP13
SCHEMBL11499462 0.73 MMP2 (0.44) LTA4HMMP2MMP9MMP8MMP13
SCHEMBL5416450 0.73 MMP2 (0.44) LTA4HMMP2MMP9MMP8MMP13
Methyl Alcohol SCHEMBL11123438 0.71 MMP2 (0.42) LTA4HMMP2MMP9MMP8MMP13
SCHEMBL3880114 0.70 MMP2 (0.43) LTA4HMMP2MMP9MMP8MMP13
SCHEMBL6933387 0.70 MMP2 (0.43) LTA4HMMP2MMP9MMP8MMP13
SCHEMBL11320827 0.70 MEN1 (0.38) LTA4HHTR1ASLC6A2SLC6A4HTR2B
Alcohol SCHEMBL8073598 0.70 MMP2 (0.41) LTA4HMMP2MMP9MMP8MMP13

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-4342681-A Use of organic silicon compounds in combination with oxetane compounds, dioxanes or tetrahydrofuranes for stabilizing and brightening polycarbonates which are free from phosphites and free from boric acid esters BAYER AKTIENGESELLSCHAFT (DE) 1982-08-03 US disclosed