Butadiene

Butadiene

SCHEMBL2013592

C=CC=C.O=C(O)OC=Cc1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.45
LMNA P02545 3/20 0.45
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
ALDH1A1 P00352 3/20 0.45
PLIN1 O60240 2/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 2/20 0.45
PLIN5 Q00G26 2/20 0.45
ABHD5 Q8WTS1 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
CYP1A2 P05177 2/20 0.45
TNKS O95271 1/20 0.45

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
SCHEMBL465525 0.92 HDAC1 (0.52) HDAC1LMNAHDAC3HDAC4HDAC2
SCHEMBL27499907 0.90 HDAC1 (0.50) HDAC1LMNAHDAC3HDAC4HDAC2
Acrylonitrile SCHEMBL10482347 0.86 LMNA (0.40) HDAC1LMNAHDAC3HDAC4HDAC2
Acrylic Acid SCHEMBL27190845 0.82 HDAC3 (0.41) HDAC1LMNAHDAC3HDAC4HDAC2
SCHEMBL195195 0.81 LMNA (0.45) HDAC1LMNAHDAC3HDAC4HDAC2
SCHEMBL60238 0.81 LMNA (0.45) HDAC1LMNAHDAC3HDAC4HDAC2
SCHEMBL28340130 0.80 HDAC1 (0.41) HDAC1LMNAHDAC3HDAC4HDAC2
SCHEMBL3868471 0.79 HDAC1 (0.52) HDAC1LMNAHDAC3HDAC4HDAC2
SCHEMBL377478 0.79 HDAC1 (0.52) HDAC1LMNAHDAC3HDAC4HDAC2
SCHEMBL3868467 0.79 HDAC1 (0.52) HDAC1LMNAHDAC3HDAC4HDAC2

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
WO-2011072384-A1 SURFACE COATING COMPOSITIONS CANTECH INDUSTRIAL RESEARCH CORPORATION (CA) 2011-06-23 WO disclosed
US-20100159148-A1 SURFACE COATING COMPOSITIONS CANTECH INDUSTRIAL RESEARCH CORPORATION (CA) 2010-06-24 US disclosed