SCHEMBL9635529

SCHEMBL9635529

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
TSHR P16473 5/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
AKR1B1 P15121 1/20 0.52
GPR84 Q9NQS5 8/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL9635507 0.97 TSHR (0.60) LMNATSHRNFKB1PMP22AKR1B1
SCHEMBL9636966 0.92
SCHEMBL1311046 0.80
Bromide SCHEMBL393964 0.78
Adipic Acid SCHEMBL11412900 0.78 LMNA (0.65) LMNATSHRNFKB1PMP22AKR1B1
Hydrochloric Acid SCHEMBL3767981 0.78
Adipic Acid SCHEMBL1483012 0.77 AKR1B1 (0.82) LMNATSHRNFKB1PMP22AKR1B1
Adipic Acid SCHEMBL8570506 0.77 AKR1B1 (0.82) LMNATSHRNFKB1PMP22AKR1B1
Adipic Acid SCHEMBL10388302 0.76 LMNA (0.85) LMNATSHRNFKB1PMP22AKR1B1
Adipic Acid SCHEMBL11767551 0.76 LMNA (0.85) LMNATSHRNFKB1PMP22AKR1B1

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
US-5139791-A Sulfonium salts Nakajima, Kenji (JP) 1992-08-18 US claimed
US-5139791-A Sulfonium salts Nakajima, Kenji (JP) 1992-08-18 US disclosed