SCHEMBL9769707

SCHEMBL9769707

CCOC(=O)C1CCCCC1(C(=O)O)C(=O)Nc1cc(OC(C)C)c(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 5/20 0.41
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
DHODH Q02127 5/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
P2RX3 P56373 3/20 0.33

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
SCHEMBL9769699 0.78 PPOX (0.46) PPOXGAAMAPK1DHODHP2RX3
SCHEMBL10940940 0.74 PPOX (0.44) PPOXGAAMAPK1DHODHMAPT
SCHEMBL10576902 0.74 P2RX3 (0.46) PPOXGAAMAPK1DHODHP2RX3
SCHEMBL10338447 0.73 PPOX (0.37) PPOXMAPTTAS1R3TAS1R1LMNA
SCHEMBL10577065 0.71 PPOX (0.38) PPOXGAAMAPK1DHODHP2RX3
SCHEMBL11144107 0.70 PPOX (0.40) PPOXGAAMAPK1DHODHP2RX3
SCHEMBL10573607 0.69 PPOX (0.38) PPOXGAAMAPK1DHODHP2RX3
SCHEMBL9769759 0.69 TSHR (0.40) PPOXGAAMAPK1DHODHMAPT
SCHEMBL9619955 0.68 PPOX (0.42) PPOXGAAMAPK1DHODHP2RX3
SCHEMBL7922423 0.68 SCN9A (0.48) PPOXLMNANPSR1RORC

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-5068365-A Herbicides TOSOH CORPORATION (JP) 1991-11-26 US disclosed