SCHEMBL8029426

SCHEMBL8029426

CCCOC(=O)C/C=C/CC(=O)OCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.45
NAAA Q02083 1/20 0.41
DGKA P23743 1/20 0.41
ALDH1A1 P00352 6/20 0.40
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
HTR2C P28335 1/20 0.37
MGLL Q99685 1/20 0.37
TSHR P16473 2/20 0.36
ESR1 P03372 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 1/20 0.36
HPGD P15428 1/20 0.35
RAD52 P43351 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
SCHEMBL27564152 0.93 HCAR2 (0.41) HCAR2NAAADGKAALDH1A1ATM
SCHEMBL28841555 0.91 HCAR2 (0.44) HCAR2NAAADGKAALDH1A1ATM
SCHEMBL5271282 0.91 ALDH1A1 (0.50) HCAR2NAAADGKAALDH1A1ATM
SCHEMBL5911764 0.91 ALDH1A1 (0.50) HCAR2NAAADGKAALDH1A1ATM
SCHEMBL28063346 0.89 HCAR2 (0.38) HCAR2NAAADGKAALDH1A1ATM
SCHEMBL8196636 0.89 DGKA (0.42) HCAR2NAAADGKAALDH1A1ATM
SCHEMBL10580042 0.89 DGKA (0.42) HCAR2NAAADGKAALDH1A1ATM
SCHEMBL9579787 0.89 DGKA (0.42) HCAR2NAAADGKAALDH1A1ATM
SCHEMBL28015669 0.88 HCAR2 (0.37) HCAR2NAAADGKAALDH1A1ATM
SCHEMBL17319619 0.88 ADORA3 (0.46) HCAR2ALDH1A1LMNAMGLLTSHR

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-6114434-A A PIGMENT PASTE RESIN OF POLYESTERS OR DIMERS, OLIGOMERS OR POLYMERS OF UNSATURATED CARBOXYLIC ACIDS AND KETONE AND/OR ALDEHYDE RESINS WITH OR WITHOUT A UREA MONOMER; DILUTABLE AFTER NEUTRALIZATION; PAINTS VIANOVA RESINS AG (AT) 2000-09-05 US disclosed