SCHEMBL4649856

SCHEMBL4649856

COc1ccc(C(CC=NOCc2ccccc2)P(=O)(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.49
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40

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
SCHEMBL4649855 1.00 ACP3 (0.49) ACP3ALDH1A1TSHRNPC1RAB9A
SCHEMBL4425880 0.89 ACP3 (0.53) ACP3TSHRNPC1RAB9A
SCHEMBL4425878 0.89 ACP3 (0.53) ACP3TSHRNPC1RAB9A
SCHEMBL4426515 0.88 ACP3 (0.43) ACP3TSHRNPC1RAB9ACNR2
SCHEMBL4426520 0.88 ACP3 (0.43) ACP3TSHRNPC1RAB9ACNR2
SCHEMBL4689914 0.86 ACP3 (0.43) ACP3ALDH1A1TSHRNPC1RAB9A
SCHEMBL4689913 0.86 ACP3 (0.43) ACP3ALDH1A1TSHRNPC1RAB9A
SCHEMBL4421802 0.85 MEN1 (0.40) ACP3ALDH1A1TSHRNPC1RAB9A
SCHEMBL4421800 0.85 MEN1 (0.40) ACP3ALDH1A1TSHRNPC1RAB9A
SCHEMBL4648899 0.81 SLC6A2 (0.41) ACP3

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-1963344-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP disclosed
WO-2007071453-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO disclosed