SCHEMBL60389

SCHEMBL60389

O=C(O)CCC(=O)OC(O)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2A Q9Y2K7 4/20 0.44
TET2 Q6N021 3/20 0.44
KDM4A O75164 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
TET3 O43151 1/20 0.44
EGLN1 Q9GZT9 3/20 0.41
LMNA P02545 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
KDM6B O15054 2/20 0.40
KDM5C P41229 2/20 0.40
PHF8 Q9UPP1 2/20 0.40
FOLH1 Q04609 6/20 0.38
CYP1A2 P05177 2/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38

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
SCHEMBL28679560 0.87 KDM2A (0.38) KDM2ATET2KDM4AKDM4CTET3
SCHEMBL17629583 0.85 GABRR1 (0.38) KDM2ATET2KDM4AKDM4CTET3
SCHEMBL2141472 0.85 HDAC1 (0.41) KDM2ATET2KDM4AKDM4CEGLN1
SCHEMBL2839365 0.82 FFAR4 (0.46) LMNA
SCHEMBL1104277 0.82 EGLN1 (0.41) KDM2ATET2KDM4AKDM4CTET3
SCHEMBL4667879 0.81 FFAR4 (0.53) LMNA
SCHEMBL8155595 0.80 EGLN1 (0.43) KDM2ATET2KDM4AKDM4CEGLN1
Adipic Acid SCHEMBL437560 0.79 FFAR4 (0.47) LMNA
SCHEMBL18049357 0.79 FFAR4 (0.56) LMNA
SCHEMBL18049364 0.79 FFAR4 (0.56) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281337-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AGAIN BIO APS (DK) 2011-11-17 US disclosed
US-20110229946-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL, 4-HYDROXYBUTANAL, 4-HYDROXYBUTYRYL-COA, PUTRESCINE AND RELATED COMPOUNDS, AND METHODS RELATED THERETO GENOMATICA, INC. (US) 2011-09-22 US disclosed
US-20110159572-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA, INC. (US) 2011-06-30 US disclosed
US-20110045575-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS GENOMATICA, INC. 2011-02-24 US disclosed