SCHEMBL12758195

SCHEMBL12758195

CCCCCCCCCCCCOC(=O)C(=CC=C1CCCN1C)S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 7/20 0.37
▸ CHRM4 P08173 7/20 0.37
▸ CHRM5 P08912 7/20 0.37
▸ CHRM1 P11229 7/20 0.37
▸ CHRM3 P20309 7/20 0.37
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ S1PR3 Q99500 1/20 0.35
▸ FKBP1A P62942 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ THRA P10827 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ PPARG P37231 3/20 0.33

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
SCHEMBL12758193 0.82 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28899832 0.81 TSHR (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12758197 0.79 TSHR (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19239985 0.79 TSHR (0.39) TSHRLMNAALDH1A1TP53MAPT
SCHEMBL13092658 0.78 TSHR (0.45) CHRM2TSHRLMNAALDH1A1S1PR3
SCHEMBL14509230 0.78 TSHR (0.49) TSHRLMNAALDH1A1TP53MAPT
SCHEMBL12758187 0.77 LMNA (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12758196 0.77 CHRM3 (0.35) CHRM3
SCHEMBL30464647 0.76 KMT2A (0.40) TSHRLMNAALDH1A1FKBP1ATP53
SCHEMBL28727222 0.76 KMT2A (0.40) TSHRLMNAALDH1A1FKBP1ATP53

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
Send feedback