SCHEMBL9446141

SCHEMBL9446141

[CH]1CCC(Oc2ccccc2)(Oc2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
TSHR P16473 1/20 0.36
CA4 P22748 1/20 0.33
KCNA3 P22001 1/20 0.31
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
DRD2 P14416 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
SCHEMBL9073781 0.81 LTA4H (0.39) LTA4HTSHRCA4KCNA3GAA
SCHEMBL10942041 0.79 SLC6A4 (0.38) LTA4HTSHR
SCHEMBL20270422 0.70 LTA4H (0.43) LTA4HTSHRCA4KCNA3GAA
SCHEMBL7657866 0.68 SSTR4 (0.35) LTA4HTSHRCA4DRD2
SCHEMBL27677030 0.67 LTA4H (0.39) LTA4HTSHRCA4GAA
SCHEMBL9644878 0.64 LTA4H (0.32) LTA4HTSHRCA4GAA
SCHEMBL13564264 0.64 DRD2 (0.45) LTA4HTSHRCA4DRD2
SCHEMBL9486908 0.64 DPP4 (0.38)
SCHEMBL451738 0.64 OPRM1 (0.56)
SCHEMBL18186083 0.62

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
US-5235025-A Cross-linkable thermotropic liquid crystalline aromatic polyester HIMONT ITALIA S.R.L. (IT) 1993-08-10 US claimed
US-4923955-A Thermotropic liquid-crystalline aromatic polyesters of substituted 4,4'-dihydroxy-diphenylene MONTEDISON S.P.A. (IT) 1990-05-08 US claimed
US-5235025-A Cross-linkable thermotropic liquid crystalline aromatic polyester HIMONT ITALIA S.R.L. (IT) 1993-08-10 US disclosed