SCHEMBL5710491

SCHEMBL5710491

CC(C)(C)CC(CCCCCCCCCCCCCCCCCCC(=O)O)(CC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
LMNA P02545 2/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
GPR84 Q9NQS5 8/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 0.43
PPARA Q07869 7/20 0.43
HDAC11 Q96DB2 5/20 0.43
PTPN1 P18031 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
FABP4 P15090 2/20 0.43
FFAR1 O14842 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL4429151 0.82 TSHR (0.40) TSHRLMNANFKB1PMP22GPR84
SCHEMBL4526151 0.81 TDP1 (0.39) TSHRLMNANFKB1PMP22GPR84
SCHEMBL6669207 0.81 GPR84 (0.55) TSHRLMNAGPR84PPARGPPARD
SCHEMBL14809846 0.80 GPR84 (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL14809728 0.80 GPR84 (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL8056020 0.80 GPR84 (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL3910055 0.80 GPR84 (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL14809032 0.80 GPR84 (0.52) TSHRLMNANFKB1PMP22GPR84
SCHEMBL20821016 0.80 TDP1 (0.54) TSHRLMNANFKB1PMP22GPR84
SCHEMBL14809975 0.80 GPR84 (0.52) TSHRLMNANFKB1PMP22GPR84

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
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed