SCHEMBL11005602

SCHEMBL11005602

Cc1ccc(S(=O)(=O)OC2CC(C)(C)N(Cc3ccccc3)C(C)(C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
ELANE P08246 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CD4 P01730 2/20 0.41
SORT1 Q99523 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.38
ATM Q13315 1/20 0.38
CA9 Q16790 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
VDR P11473 1/20 0.37

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
SCHEMBL10895930 0.82 CYP2C19 (0.39) CYP2D6ELANEALDH1A1TSHRCYP1A2
SCHEMBL11007808 0.82 CYP3A4 (0.40) ELANEBCHEACHECD4SORT1
SCHEMBL5746064 0.80 LMNA (0.49) CYP2D6BCHEACHECD4SORT1
SCHEMBL11008898 0.79 CYP2D6 (0.44) CYP2D6ELANEALDH1A1TSHRCYP1A2
SCHEMBL19712291 0.79 CYP2D6 (0.51) CYP2D6ELANEACHEALDH1A1TSHR
SCHEMBL11003574 0.79 CYP2D6 (0.55) CYP2D6ACHEALDH1A1TSHRCYP1A2
SCHEMBL5744572 0.78 CYP2D6 (0.57) CYP2D6ACHECD4SORT1ALDH1A1
SCHEMBL10897496 0.78 OPRM1 (0.34) CYP2D6ALDH1A1LMNACYP3A4CYP2C19
SCHEMBL21761015 0.76 CYP2D6 (0.54) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL28909487 0.76 CYP2D6 (0.54) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19

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-4537923-A CURING CATALYSTS FOR ACID-CURABLE RESINS CIBA GEIGY CORPORATION (US) 1985-08-27 US disclosed