Ethylene

Ethylene

SCHEMBL7415017

C=C.CCC(=O)Cc1c([N+](=O)[O-])ccc(Cl)c1C

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
VCAM1 P19320 6/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2 P00734 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35

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
Ethylene SCHEMBL7412898 0.77 TDP1 (0.49) TDP1ALDH1A1KMT2AMEN1L3MBTL1
Ethylene SCHEMBL7409706 0.77 ALDH1A1 (0.34) ALDH1A1L3MBTL1LMNACYP3A4MAPK1
SCHEMBL31514659 0.71 GPR35 (0.42) ALDH1A1HPGDL3MBTL1SMN1; SMN2MAPT
SCHEMBL31514650 0.71 GPR35 (0.42) ALDH1A1HPGDL3MBTL1SMN1; SMN2MAPT
SCHEMBL4864448 0.69 TDP1 (0.57) TDP1VCAM1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL38652666 0.69 TDP1 (0.52) TDP1VCAM1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7415021 0.69 ALDH1A1 (0.37) TDP1VCAM1ALDH1A1HPGDGAA
SCHEMBL11091159 0.68 TDP1 (0.56) TDP1VCAM1ALDH1A1KMT2AMEN1
SCHEMBL27490702 0.68 ALDH1A1 (0.50) VCAM1ALDH1A1HPGDGAAKMT2A
SCHEMBL2910425 0.68 TDP1 (0.67) TDP1VCAM1ALDH1A1SMN1; SMN2F2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed