SCHEMBL10334657

SCHEMBL10334657

COC(C(=O)OCc1ccccc1)(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
MAOB P27338 2/20 0.46
MGLL Q99685 1/20 0.45
MMP1 P03956 1/20 0.44
MMP12 P39900 1/20 0.44
NR4A2 P43354 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
PTPN1 P18031 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PTPRC P08575 1/20 0.43
NR1I2 O75469 1/20 0.42

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
SCHEMBL9292333 0.88 ALDH1A1 (0.53) MAOBMEN1KMT2APTPN1MAPT
SCHEMBL10334748 0.87 SMN1; SMN2 (0.42) MEN1KMT2APPARGPPARAMAPT
SCHEMBL10334725 0.87 NPSR1 (0.45) MEN1KMT2AMAPTALDH1A1
SCHEMBL10334648 0.85 HTT (0.46) KMT2AHTTLMNANR1I2ADRB1
SCHEMBL10334641 0.85 LMNA (0.43) MEN1KMT2APPARGPPARAMAPT
SCHEMBL9292634 0.84 KCNN4 (0.49) MEN1KMT2AMAPTHTTLMNA
SCHEMBL10334864 0.82 CYP3A4 (0.46) MEN1KMT2APPARGPPARAHTT
SCHEMBL10335652 0.82 POLB (0.48) MAOBMMP12MEN1KMT2AALDH1A1
SCHEMBL10334861 0.81 KMT2A (0.45) MAOBMMP1MMP12MEN1KMT2A
SCHEMBL10334190 0.81 MAPT (0.46) MAOBMEN1KMT2APPARGPPARA

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-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed