SCHEMBL9635507

SCHEMBL9635507

C[S+](C)CCCCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
LMNA P02545 2/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
GPR84 Q9NQS5 8/20 0.54
PPARG P37231 7/20 0.54
PPARD Q03181 7/20 0.54
PPARA Q07869 7/20 0.54
HDAC11 Q96DB2 5/20 0.54
PTPN1 P18031 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TLR2 O60603 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
FABP4 P15090 2/20 0.54
FFAR1 O14842 2/20 0.54
FFAR4 Q5NUL3 2/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54

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
SCHEMBL9635529 0.97 LMNA (0.58) TSHRLMNANFKB1PMP22GPR84
SCHEMBL9636966 0.90
SCHEMBL8070797 0.81 TSHR (0.55) TSHRLMNANFKB1PMP22GPR84
Octanedioate SCHEMBL5321589 0.79 TSHR (0.67) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL19066940 0.78 GPR84 (0.83) TSHRLMNANFKB1PMP22GPR84
Pimelic Acid SCHEMBL1483103 0.78 GPR84 (0.83) TSHRLMNANFKB1PMP22GPR84
Octanedioate SCHEMBL1483010 0.78 GPR84 (0.83) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL2474666 0.78 GPR84 (0.83) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1311046 0.78
Octanedioate SCHEMBL10954518 0.78 TSHR (0.86) 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
US-5139791-A Sulfonium salts Nakajima, Kenji (JP) 1992-08-18 US claimed