SCHEMBL9101964

SCHEMBL9101964

CCCCN(CCCC)c1ccc(C=Cc2ccc(S(=O)(=O)C(O)CCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.41
▸ INSR P06213 1/20 0.39
▸ AR P10275 1/20 0.36
▸ CNR2 P34972 6/20 0.36
▸ APP P05067 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 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
SCHEMBL9097822 0.94 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9098540 0.93 INSR (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9100255 0.93 INSR (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9103150 0.93 INSR (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9415719 0.90 CNR2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9099897 0.80 KDM4A (0.50) INSRAPPMEN1ALDH1A1MAPT
SCHEMBL9017713 0.80 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9017712 0.80 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3045309 0.78 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915629 0.78 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3

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-5517350-A Optical component based on Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 — — US disclosed
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