SCHEMBL28065652

SCHEMBL28065652

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 2/20 0.47
ATM Q13315 1/20 0.47
CA2 P00918 3/20 0.47
ALDH1A1 P00352 3/20 0.42
AKR1B1 P15121 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
HDAC11 Q96DB2 4/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL28065708 0.92 TSHR (0.46) TSHRTDP1CYP3A4ATMCA2
SCHEMBL28828280 0.86 CA2 (0.51) TSHRTDP1CYP3A4ATMCA2
SCHEMBL321084 0.81 AKR1B1 (0.50) TSHRTDP1ALDH1A1AKR1B1PLA2G2C
SCHEMBL3505247 0.81 CA2 (0.68) TSHRTDP1CYP3A4ATMCA2
SCHEMBL180777 0.81 CA2 (0.68) TSHRTDP1CYP3A4ATMCA2
SCHEMBL16440018 0.80 CA2 (0.52) TSHRTDP1CYP3A4ATMCA2
SCHEMBL5879022 0.79 FFAR4 (0.55) TSHRTDP1CA2ALDH1A1AKR1B1
Acetic Acid SCHEMBL28757886 0.78 CA2 (0.63) TSHRTDP1CYP3A4ATMCA2
SCHEMBL10422257 0.78 CA2 (0.46) TSHRTDP1CYP3A4ATMCA2
SCHEMBL2960157 0.77 CA2 (0.62) TSHRTDP1CYP3A4ATMCA2

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