SCHEMBL9622672

SCHEMBL9622672

Cc1cc(CNC(=O)O)cc(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 1/20 0.40
AKR1C3 P42330 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
CARM1 Q86X55 2/20 0.37
PRMT6 Q96LA8 2/20 0.37
MAOB P27338 1/20 0.37
CTSB P07858 2/20 0.36

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
SCHEMBL465569 0.85 GAA (0.49) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27798794 0.81 ALDH1A1 (0.37) ALDH1A1L3MBTL1MEN1KMT2AAKR1C3
SCHEMBL7526917 0.80 GAA (0.45) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL101014 0.79 KDM4E (0.41) KDM4EALDH1A1GAAAKR1C3TSHR
SCHEMBL3937414 0.78 BCHE (0.55) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL27819870 0.77 ALDH1A1 (0.35) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
Hydrogen Peroxide SCHEMBL11210753 0.77 FABP3 (0.44) KDM4EALDH1A1GAATSHRFABP3
SCHEMBL20428059 0.77 ERCC1 (0.57) MEN1KMT2AGAACYP2D6CYP2C9
SCHEMBL3556571 0.77 ALDH1A1 (0.62) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8845375 0.76 KDM4E (0.38) KDM4EALDH1A1L3MBTL1KMT2ASMN1; SMN2

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
EP-0300691-B1 PLANT-PROTECTIVE COMPOSITION CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-03-04 EP claimed
US-4190650-A Phosphonyl vinyl phosphorus compounds as pesticides BASF AKTIENGESELLSCHAFT (DE) 1980-02-26 US disclosed