SCHEMBL10334682

SCHEMBL10334682

COc1ccc(COC(=O)C(OC)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
FABP7 O15540 1/20 0.49
FABP5 Q01469 1/20 0.49
P2RX4 Q99571 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP9 P14780 2/20 0.45
KMT2A Q03164 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.44
MMP12 P39900 1/20 0.44
LTA4H P09960 1/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
FFAR1 O14842 1/20 0.43
TSHR P16473 1/20 0.43
CASP3 P42574 1/20 0.43

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 0.90 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKMT2ATDP1
SCHEMBL10334698 0.87 NPC1 (0.44) P2RX4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9292666 0.86 ALDH1A1 (0.47) P2RX4ALDH1A1NPC1RAB9APOLB
SCHEMBL10334861 0.86 KMT2A (0.45) FABP7FABP5ALDH1A1SMN1; SMN2MMP9
SCHEMBL10334638 0.85 NPC1 (0.50) ALDH1A1NPC1RAB9AMMP9KMT2A
SCHEMBL10334788 0.81 RAB9A (0.50) ALDH1A1NPC1RAB9APOLBTDP1
SCHEMBL30990574 0.81 NPC1 (0.52) ATMFABP7FABP5ALDH1A1NPC1
SCHEMBL10334302 0.80 GAA (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10334657 0.79 PRKCA (0.47) ALDH1A1KMT2AMMP1MMP12HTT
SCHEMBL10334676 0.78 SLC1A3 (0.40) ALDH1A1KMT2A

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