SCHEMBL14036299

SCHEMBL14036299

CCO[P@@](=O)(c1cc(C)cc(C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 10/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIRT1 Q96EB6 5/20 0.41
ALOX15 P16050 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41

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
SCHEMBL12229829 1.00 MAP2 (0.45) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL12229839 0.96 MAP2 (0.46) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL12229848 0.92 MAP2 (0.45) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL14114291 0.92 MAP2 (0.45) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL12229853 0.91 MAP2 (0.45) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL12229935 0.91 ALDH1A1 (0.47) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL12229851 0.89 MAP2 (0.44) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL2535129 0.88 MAP2 (0.52) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL12229859 0.88 MAP2 (0.49) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL12229831 0.88 MAP2 (0.46) MAP2ALDH1A1CYP1A2HPGDXBP1

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
EP-1799696-B1 PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2008-11-12 EP disclosed