SCHEMBL14958855

SCHEMBL14958855

C=P(C)(Cc1ccc(C(c2ccc(C=O)cc2)(c2ccc(CP(C)(=O)OCC)cc2)c2ccc(CP(C)(=O)OCC)cc2)cc1)OCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HDAC1 Q13547 1/20 0.36
HMGCR P04035 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1I2 O75469 1/20 0.30

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
SCHEMBL455878 0.80 EPHX2 (0.42) EPHX2NR1H4HDAC1HMGCRALDH1A1
SCHEMBL440134 0.71 ALDH1A1 (0.44) HDAC1ALDH1A1LMNAMAPTHPGD
SCHEMBL2029488 0.69 HDAC1 (0.43) HDAC1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13981576 0.67 NPY5R (0.42) HDAC1MAPT
SCHEMBL13321994 0.67 ALDH1A1 (0.41) HDAC1ALDH1A1LMNAMAPTHPGD
SCHEMBL13321993 0.67 ALDH1A1 (0.41) HDAC1ALDH1A1LMNAMAPTHPGD
SCHEMBL12709305 0.66 KMT2A (0.41) HDAC1ALDH1A1LMNASMN1; SMN2
SCHEMBL10310970 0.66 HDAC1 (0.38) HDAC1ALDH1A1SMN1; SMN2NR1I2
SCHEMBL18392890 0.66 MEN1 (0.38) HDAC1ALDH1A1MAPTSMN1; SMN2NR1I2
SCHEMBL14298987 0.66 HDAC1 (0.35) HDAC1

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-8445695-B2 Synthesis of phosphono-substituted porphyrin compounds for attachment to metal oxide surfaces NORTH CAROLINA STATE UNIVERSITY (US) 2013-05-21 US disclosed