Pimelic Acid

Pimelic Acid

SCHEMBL3223934

O=C(O)CC(O)C(=O)O.O=C(O)CCCCCC(=O)O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDRD2HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Pimelic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.71
TSHR P16473 5/20 0.57
LMNA P02545 3/20 0.57
NFKB1 P19838 1/20 0.57
PMP22 Q01453 1/20 0.57
TET2 Q6N021 3/20 0.52
KDM4A O75164 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
KDM2A Q9Y2K7 2/20 0.52
TET3 O43151 1/20 0.52
GPR84 Q9NQS5 5/20 0.48
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
Adipic Acid SCHEMBL2019308 0.98 SMN1; SMN2 (0.75) SMN1; SMN2TSHRLMNANFKB1PMP22
Adipic Acid SCHEMBL28234949 0.95 SMN1; SMN2 (0.71) SMN1; SMN2TSHRLMNANFKB1PMP22
Malic Acid SCHEMBL7895521 0.93 SMN1; SMN2 (0.75) SMN1; SMN2TSHRLMNANFKB1PMP22
Cadaverine Tartrate SCHEMBL27687433 0.91 SMN1; SMN2 (0.65) SMN1; SMN2TSHRLMNANFKB1PMP22
Octanoic Acid SCHEMBL31240956 0.90 GPR84 (0.65) SMN1; SMN2TSHRGPR84FFAR1FFAR4
Stearic Acid SCHEMBL3379301 0.90 GPR84 (0.65) SMN1; SMN2TSHRGPR84FFAR1FFAR4
Behenic Acid SCHEMBL28358122 0.90 GPR84 (0.65) SMN1; SMN2TSHRGPR84FFAR1FFAR4
Palmitic Acid SCHEMBL15066461 0.88 GPR84 (0.63) SMN1; SMN2TSHRGPR84FFAR1FFAR4
Malic Acid SCHEMBL4814892 0.87 SMN1; SMN2 (0.83) SMN1; SMN2LMNATET2KDM4AKDM4C
Malic Acid SCHEMBL28105083 0.87 SMN1; SMN2 (0.83) SMN1; SMN2LMNATET2KDM4AKDM4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055232-A1 DEGRADABLE CHEWING GUM IDAR MEDICAL BIODEGRADABLE AB 2010-03-04 US disclosed
EP-2096938-A2 DEGRADABLE CHEWING GUM Idar Medical Biodegradable AB (SE) 2009-09-09 EP disclosed
WO-2008068641-A2 DEGRADABLE CHEWING GUM IDAR MEDICAL BIODEGRADABLE AB (US) 2008-06-12 WO disclosed