Butadiene

Butadiene

SCHEMBL28697396

C=CC=C.C=Cc1ccc(N)cc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
APP P05067 2/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP19A1 P11511 5/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TDP1 Q9NUW8 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP3A4 P08684 3/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 2/20 0.35
MAPK1 P28482 1/20 0.35
ACHE P22303 1/20 0.35
CA3 P07451 1/20 0.35
THRB P10828 1/20 0.35
CA6 P23280 1/20 0.35
CASP1 P29466 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
SCHEMBL87361 0.94
Hydrochloric Acid SCHEMBL761106 0.92 ALDH1A1 (0.65) ALDH1A1APPTSHRMEN1MAPT
Ethylene SCHEMBL28350605 0.92 ALDH1A1 (0.65) ALDH1A1APPTSHRMEN1MAPT
Iodide SCHEMBL28958609 0.92 ALDH1A1 (0.65) ALDH1A1APPTSHRMEN1MAPT
Cesium SCHEMBL30125471 0.92 ALDH1A1 (0.65) ALDH1A1APPTSHRMEN1MAPT
Nitrogen SCHEMBL28798402 0.89 ALDH1A1 (0.61) ALDH1A1APPTSHRMEN1MAPT
SCHEMBL21021079 0.86 ALDH1A1 (0.58) ALDH1A1APPTSHRMEN1MAPT
Butadiene SCHEMBL8095007 0.85 ALDH1A1 (0.85) ALDH1A1TSHRMAPTTDP1HDAC8
SCHEMBL23044736 0.84 ALDH1A1 (0.55) ALDH1A1APPTSHRMEN1MAPT
SCHEMBL4387219 0.84 ALDH1A1 (0.55) ALDH1A1APPTSHRMEN1MAPT

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
CN-107163478-B Unsaturated resin composition capable of being cured by heat and then by light irradiation, and preparation method and application thereof 江门盈骅光电科技有限公司 2022-03-08 CN disclosed