SCHEMBL28828280

SCHEMBL28828280

CCCCC(CC)CCC(Br)CCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.51
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.42
AKR1B1 P15121 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
MAPK1 P28482 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 5/20 0.39
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
HDAC11 Q96DB2 4/20 0.39
GPR84 Q9NQS5 3/20 0.39
TLR2 O60603 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39

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
SCHEMBL28065652 0.86 TSHR (0.47) CA2TSHRTDP1CYP3A4ATM
SCHEMBL180777 0.85 CA2 (0.68) CA2TSHRTDP1CYP3A4ATM
SCHEMBL3505247 0.85 CA2 (0.68) CA2TSHRTDP1CYP3A4ATM
SCHEMBL321084 0.85 AKR1B1 (0.50) TSHRTDP1ALDH1A1AKR1B1PLA2G2C
Acetic Acid SCHEMBL28757886 0.82 CA2 (0.63) CA2TSHRTDP1CYP3A4ATM
SCHEMBL2960157 0.81 CA2 (0.62) CA2TSHRTDP1CYP3A4ATM
SCHEMBL8608102 0.80 CA2 (0.60) CA2TSHRTDP1ALDH1A1AKR1B1
SCHEMBL5878918 0.80 CA2 (0.60) CA2TSHRTDP1CYP3A4ATM
SCHEMBL8011806 0.78 FFAR4 (0.58) TSHRTDP1ALDH1A1AKR1B1FFAR4
SCHEMBL9155678 0.78 CA2 (0.58) CA2TSHRTDP1ALDH1A1AKR1B1

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
CN-103460086-B Color composition for color filter and colour filter TOYO INK SC HOLDINGS CO.,LTD. (JP) 2016-05-18 CN disclosed