SCHEMBL10861237

SCHEMBL10861237

CCCCCCCCOc1ccc(NC=C(C(=O)OCC)C(=O)OCC)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.53
NPSR1 Q6W5P4 3/20 0.48
FAAH O00519 1/20 0.47
SMPD1 P17405 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
C5 P01031 1/20 0.45
RECQL P46063 1/20 0.44

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
SCHEMBL10862940 1.00 DHODH (0.53) DHODHNPSR1FAAHSMPD1KDM4E
SCHEMBL10857938 1.00 DHODH (0.53) DHODHNPSR1FAAHSMPD1KDM4E
SCHEMBL10860510 0.92 DHODH (0.54) DHODHNPSR1SMPD1KDM4EMAPT
SCHEMBL10863652 0.87 DHODH (0.48) DHODHNPSR1SMPD1KDM4EMAPT
SCHEMBL10863650 0.87 DHODH (0.48) DHODHNPSR1SMPD1KDM4EMAPT
SCHEMBL5295046 0.87 DHODH (0.65) DHODHNPSR1KDM4EMAPTALDH1A1
SCHEMBL22589544 0.85 DHODH (0.54) DHODHNPSR1SMPD1KDM4EMAPT
SCHEMBL29409649 0.85 DHODH (0.54) DHODHNPSR1SMPD1KDM4EMAPT
SCHEMBL10861060 0.82 DHODH (0.65) DHODHNPSR1KDM4EMAPTCYP3A4
SCHEMBL5930012 0.81 CTSV (0.58) DHODHNPSR1KDM4EMAPTALDH1A1

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-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 EP disclosed