Sebacic Acid

Sebacic Acid

SCHEMBL8769719

O=C(O)CCCCCCCCC(=O)O.Sc1nnc(S)s1.Sc1nnc(S)s1

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
LMNA P02545 3/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
GPR84 Q9NQS5 8/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
FOLH1 Q04609 1/20 0.44
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
FABP4 P15090 2/20 0.43
ALOX15 P16050 2/20 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
SCHEMBL4444196 0.81 APEX1 (0.57) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL11590627 0.80 SMN1; SMN2 (0.44) TSHRLMNANFKB1PMP22HDAC11
Azelaic Acid SCHEMBL2724296 0.72 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL301600 0.72 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
SCHEMBL35775 0.72 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
SCHEMBL25186232 0.72 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1674812 0.72 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL20500595 0.72 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
SCHEMBL21065467 0.72 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
Adipic Acid SCHEMBL5475921 0.72 TSHR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796890-A1 Vulcanizable acrylic rubber composition ENICHEM S.p.A. (IT) 1997-09-24 EP disclosed
US-4128510-A 2,5-DIMERCAPTO-1,3,4-THIADIAZOLES HERCULES INCORPORATED (US) 1978-12-05 US disclosed