SCHEMBL8631145

SCHEMBL8631145

O=C(OCCCC1CCCCC1)c1ccccc1C(=O)OCCCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
TDP1 Q9NUW8 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
CHRM2 P08172 4/20 0.52
CHRM4 P08173 4/20 0.52
CHRM5 P08912 4/20 0.52
CHRM1 P11229 4/20 0.52
CHRM3 P20309 4/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
EPHX1 P07099 1/20 0.47
NAAA Q02083 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45

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
SCHEMBL28117877 0.94 CHRM2 (0.51) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL1020868 0.90 ALDH1A1 (0.51) TSHRTDP1L3MBTL1CYP3A4MAPK1
Butylcyclohexane SCHEMBL28669995 0.86 TSHR (0.61) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27823010 0.84 ALDH1A1 (0.63) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27998817 0.84 ALDH1A1 (0.63) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL21526710 0.82 TDP1 (0.59) TSHRTDP1L3MBTL1CHRM2CHRM4
SCHEMBL27818253 0.80 ALDH1A1 (0.71) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28805932 0.80 ALDH1A1 (0.71) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL9002096 0.80 CHRNB4 (0.53) TSHRTDP1CHRM2CHRM4CHRM5
SCHEMBL28219423 0.78 ALDH1A1 (0.49) TSHRTDP1L3MBTL1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4231915-A HEAT RESISTANCE, DIELECTRICS, GOOD GELLING AND TENSILE STRENGTH CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) 1980-11-04 US claimed
JP-10175924-A None JP disclosed
JP-10176087-A None JP disclosed
JP-H10175924-A ESTER FOR PLASTICIZER MITSUBISHI CHEM CORP 1998-06-30 JP disclosed
JP-H10176087-A PLASTISOL COMPOSITION MITSUBISHI CHEM CORP 1998-06-30 JP disclosed
US-4231915-A HEAT RESISTANCE, DIELECTRICS, GOOD GELLING AND TENSILE STRENGTH CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) 1980-11-04 US disclosed