SCHEMBL8039724

SCHEMBL8039724

CCC(CC)COc1ccc(Oc2ccc(N(C(C)=O)c3ccccc3C(=O)OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
TSHR P16473 2/20 0.35
MAPK10 P53779 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8044175 0.89 TSPO (0.43) TSPOALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL8044214 0.89 SMN1; SMN2 (0.39) TSPOKMT2ASMN1; SMN2POLBACACB
SCHEMBL8037870 0.86 LTA4H (0.46) TSPOKMT2ASMN1; SMN2TDP1TSHR
SCHEMBL8037899 0.84 MAPT (0.51) TSPOALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL8037882 0.84 LTA4H (0.48) TSPOSMN1; SMN2TSHRMAPTCYP3A4
SCHEMBL6405714 0.83 ALOX5 (0.47) TSPOALDH1A1SMN1; SMN2ACACBRAB9A
SCHEMBL6403207 0.82 TSPO (0.45) TSPOALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL8039723 0.81 PNLIP (0.47) TSPOALDH1A1KDM4EKMT2AACACB
SCHEMBL8041192 0.80 TSPO (0.41) TSPOALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL8041220 0.78 MTNR1A (0.41) SMN1; SMN2POLBACACBACACAMTNR1A

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
EP-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 EP disclosed