Butadiene

Butadiene

SCHEMBL10353502

C=CC(=O)C(=Cc1ccccc1)[N+](=O)[O-].C=CC=C

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 8/20 0.53
▸ PRMT1 Q99873 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL3380096 0.97 FBP1 (0.56) FBP1PRMT1SMN1; SMN2AKR1C3AKR1C1
SCHEMBL29413825 0.95 FBP1 (0.54) FBP1PRMT1SMN1; SMN2AKR1C3AKR1C1
Acrylic Acid SCHEMBL29466908 0.94 FBP1 (0.53) FBP1PRMT1SMN1; SMN2AKR1C3AKR1C1
Styrene SCHEMBL8375103 0.81 FBP1 (0.42) FBP1PRMT1SMN1; SMN2AKT1CYP1B1
SCHEMBL42324 0.79 FBP1 (0.58) FBP1PRMT1SMN1; SMN2AKR1C3AKR1C1
SCHEMBL6382677 0.79 FBP1 (0.58) FBP1PRMT1SMN1; SMN2AKR1C3AKR1C1
SCHEMBL11140787 0.79 FBP1 (0.58) FBP1PRMT1SMN1; SMN2AKR1C3AKR1C1
Hydrochloric Acid SCHEMBL4989759 0.78 FBP1 (0.56) FBP1PRMT1SMN1; SMN2AKR1C3AKR1C1
SCHEMBL27867388 0.78 FBP1 (0.56) FBP1PRMT1SMN1; SMN2AKR1C3AKR1C1
SCHEMBL27897016 0.78 FBP1 (0.56) FBP1PRMT1SMN1; SMN2AKR1C3AKR1C1

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-0148760-B1 IMPROVEMENTS IN FIBRE REINFORCED PLASTICS STRUCTURES The Wiggins Teape Group Limited (GB) 1990-07-25 — — EP claimed
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