SCHEMBL7168941

SCHEMBL7168941

CCON=Cc1c(S(C)(=O)=O)ccc(C(=O)O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34
IKBKB O14920 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.31
ACLY P53396 1/20 0.31
XBP1 P17861 1/20 0.31
TSHR P16473 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
SCHEMBL7081782 1.00 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL7174168 0.88 ALDH1A1 (0.37) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL7174163 0.88 ALDH1A1 (0.37) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL16164214 0.85 LMNA (0.32) LMNAMAPK1TSHR
SCHEMBL8175837 0.84 TSHR (0.37) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL7080277 0.84 TSHR (0.37) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL4036668 0.81 LMNA (0.40) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL4271639 0.81 LMNA (0.40) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL7172541 0.79 ALDH1A1 (0.34) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL7172556 0.79 ALDH1A1 (0.34) ALDH1A1MAPTHPGDMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576596-B1 Compatible with crop plants BASF AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-6028035-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-02-22 US disclosed