SCHEMBL10335652

SCHEMBL10335652

COC(C(=O)OCc1cccc(C)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAOB P27338 3/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
IDO1 P14902 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM3 P20309 1/20 0.40
NR1H4 Q96RI1 2/20 0.40
CTBP2 P56545 1/20 0.40
HSP90AA1 P07900 1/20 0.39

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 0.87 ALDH1A1 (0.53) MAOBMEN1KMT2AALDH1A1
SCHEMBL10334632 0.85 HCAR2 (0.51) MAOBMMP2MMP9MMP12IDO1
SCHEMBL10334638 0.85 NPC1 (0.50) MAOBMMP2MMP9MMP12IDO1
SCHEMBL10334698 0.85 NPC1 (0.44) MAOBMMP2MMP9MMP12MEN1
SCHEMBL10334892 0.82 RAB9A (0.57) POLBMAOBMEN1KMT2AALDH1A1
SCHEMBL10334657 0.82 PRKCA (0.47) MAOBMMP12MEN1KMT2AALDH1A1
SCHEMBL859781 0.78 MAOB (0.54) POLBMAOBMMP2MMP9MMP12
SCHEMBL10334682 0.78 ATM (0.49) POLBMMP2MMP9MMP12KMT2A
SCHEMBL10334861 0.78 KMT2A (0.45) MAOBMMP2MMP9MMP12MEN1
SCHEMBL9292666 0.78 ALDH1A1 (0.47) POLBMAOBMMP2MMP9MMP12

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