SCHEMBL7000160

SCHEMBL7000160

CC[C@H](C)[C@H](NC(=O)Cc1c(C)cc(C)cc1OC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.43
PYGL P06737 1/20 0.43
CYP2C19 P33261 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 1/20 0.39
LPAR1 Q92633 1/20 0.39
FPR2 P25090 2/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR183 P32249 1/20 0.38
TYR P14679 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
SCHEMBL7000156 1.00 KMT2A (0.48) KMT2AGFERALDH1A1CYP2C9PYGL
SCHEMBL7950079 0.90 ALDH1A1 (0.45) KMT2AGFERALDH1A1RXFP1LMNA
SCHEMBL6998473 0.90 ALDH1A1 (0.45) KMT2AGFERALDH1A1RXFP1LMNA
SCHEMBL7094314 0.90 MAPK1 (0.44) KMT2AGFERALDH1A1CYP2C9PYGL
SCHEMBL7094315 0.90 MAPK1 (0.44) KMT2AGFERALDH1A1CYP2C9PYGL
SCHEMBL8744747 0.88 KMT2A (0.54) KMT2AGFERALDH1A1CYP2C9PYGL
SCHEMBL8744757 0.88 KMT2A (0.54) KMT2AGFERALDH1A1CYP2C9PYGL
SCHEMBL6990345 0.85 SHMT2 (0.44) KMT2AALDH1A1RXFP1LMNALPAR1
SCHEMBL6990342 0.85 SHMT2 (0.44) KMT2AALDH1A1RXFP1LMNALPAR1
SCHEMBL7950138 0.82 TAS1R3 (0.44) ALDH1A1RXFP1LMNALPAR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754175-B1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed
US-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
WO-1995026954-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed