Butadiene

Butadiene

SCHEMBL11263308

C=CC=C.C=Cc1ccccc1C(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 1/20 0.52
LMNA P02545 1/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
HMGB1 P09429 1/20 0.45
CA6 P23280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPT P10636 3/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL30259301 0.96 ALDH1A1 (0.56) ALDH1A1ALOX15LMNAKDM4EHPGD
SCHEMBL31100 0.96 ALDH1A1 (0.56) ALDH1A1ALOX15LMNAKDM4EHPGD
Benzene SCHEMBL28254104 0.96 ALDH1A1 (0.56) ALDH1A1ALOX15LMNAKDM4EHPGD
SCHEMBL2856375 0.94 ALDH1A1 (0.54) ALDH1A1ALOX15LMNAKDM4EHPGD
Ammonia Solution, Strong SCHEMBL6551345 0.94 ALDH1A1 (0.54) ALDH1A1ALOX15LMNAKDM4EHPGD
SCHEMBL2867924 0.94 ALDH1A1 (0.54) ALDH1A1ALOX15LMNAKDM4EHPGD
Fluoride SCHEMBL31173776 0.94 ALDH1A1 (0.54) ALDH1A1ALOX15LMNAKDM4EHPGD
Hydrochloric Acid SCHEMBL2909959 0.94 ALDH1A1 (0.54) ALDH1A1ALOX15LMNAKDM4EHPGD
SCHEMBL9744924 0.94 ALDH1A1 (0.54) ALDH1A1ALOX15LMNAKDM4EHPGD
SCHEMBL347539 0.94 ALDH1A1 (0.54) ALDH1A1ALOX15LMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689340-B Method for manufacturing 3D structure from powdery rubber material and product thereof 科思创德国股份有限公司 2022-04-15 CN disclosed
US-4330449-A CONJUGATED COPOLYENE-STYRENE BLOCK POLYMER ADDED TO ELEMENTAL SULFUR AND ASPHALT ELF FRANCE (FR) 1982-05-18 US disclosed