SCHEMBL12758193

SCHEMBL12758193

CCCCCCOC(=O)C(=CC=C1N(CC)CCN1CC)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 12/20 0.39
▸ CHRM4 P08173 12/20 0.39
▸ CHRM5 P08912 12/20 0.39
▸ CHRM1 P11229 12/20 0.39
▸ CHRM3 P20309 12/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ S1PR3 Q99500 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PPARG P37231 3/20 0.35

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
SCHEMBL28899832 0.84 TSHR (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12758197 0.82 TSHR (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12758195 0.82 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13092658 0.81 TSHR (0.45) CHRM2TSHRALDH1A1LMNAS1PR3
SCHEMBL14509230 0.81 TSHR (0.49) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL28727222 0.79 KMT2A (0.40) TSHRALDH1A1LMNATP53MAPK1
SCHEMBL30464647 0.79 KMT2A (0.40) TSHRALDH1A1LMNATP53MAPK1
SCHEMBL12758187 0.79 LMNA (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10678505 0.78 ALDH1A1 (0.42) CHRM2TSHRALDH1A1LMNAS1PR3
SCHEMBL13609922 0.78 ALDH1A1 (0.42) CHRM2TSHRALDH1A1LMNAS1PR3

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-20110057155-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-10 — — US disclosed
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