SCHEMBL14798778

SCHEMBL14798778

C=C(C)C(=O)ONC(=O)CCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 7/20 0.43
KDM2A Q9Y2K7 7/20 0.43
KDM5C P41229 5/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.41
EGLN1 Q9GZT9 5/20 0.41
KDM6B O15054 3/20 0.40
FOLH1 Q04609 1/20 0.40
KDM7A Q6ZMT4 1/20 0.39
LMNA P02545 2/20 0.38
SLC15A2 Q16348 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
TSHR P16473 4/20 0.34
THRB P10828 1/20 0.32
GABRR1 P24046 1/20 0.31

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
SCHEMBL3749937 0.92 ALDH1A1 (0.48) PHF8KDM2AKDM5CKDM4EALDH1A1
SCHEMBL3754716 0.86 ALDH1A1 (0.46) KDM4EALDH1A1TSHRTHRB
SCHEMBL3752235 0.86 ALDH1A1 (0.46) ALDH1A1TSHRTHRB
SCHEMBL27826454 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL3748063 0.83 ALDH1A1 (0.52) ALDH1A1TSHRTHRB
SCHEMBL6153042 0.79 ALDH1A1 (0.48) ALDH1A1LMNATSHRTHRB
SCHEMBL30513275 0.78 TSHR (0.53) TSHR
SCHEMBL22852547 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL16376102 0.77 ALDH1A1 (0.55) ALDH1A1TSHRTHRB
Water SCHEMBL28162739 0.74 ALDH1A1 (0.52) ALDH1A1TSHRTHRB

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
US-20130075142-A1 ADHESIVE COMPOSITION, USE THEREOF, CONNECTION STRUCTURE FOR CIRCUIT MEMBERS, AND METHOD FOR PRODUCING SAME HITACHI CHEMICAL CO., LTD. (JP) 2013-03-28 US disclosed