Heptanoate

Heptanoate

SCHEMBL27293248

CCCCCCC(=O)O.O=[N+]([O-])c1c(O)cccc1-c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.47
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
TRPV1 Q8NER1 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41

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
Palmitic Acid SCHEMBL28156036 0.83 ALDH1A1 (0.47) SOAT1ALDH1A1MEN1KMT2AMAPT
Palmitic Acid SCHEMBL5503920 0.83 SOAT1 (0.57) SOAT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7722672 0.81 GPR35 (0.56) ALDH1A1MEN1KMT2AMAPTTDP1
Palmitic Acid SCHEMBL28156034 0.80 PTGDR2 (0.50) SOAT1ALDH1A1MEN1KMT2AMAPT
Dodecanoate SCHEMBL2177136 0.79 PPARG (0.49) ALDH1A1MEN1KMT2AGPR84PPARG
Octanoic Acid SCHEMBL8200120 0.79 PPARG (0.49) ALDH1A1MEN1KMT2AGPR84PPARG
Palmitic Acid SCHEMBL27937097 0.79 PPARG (0.49) ALDH1A1MEN1KMT2AGPR84PPARG
Decanoic Acid SCHEMBL28551408 0.79 PPARG (0.49) ALDH1A1MEN1KMT2AGPR84PPARG
Nitrophenolate SCHEMBL28355685 0.78 MEN1 (0.47) ALDH1A1MEN1KMT2ACES2CES1
Octanoic Acid SCHEMBL9716530 0.77 GPR84 (0.65) ALDH1A1MEN1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1045595-C Process for the preparation of the intermediates used in the synthesis of 3-aminopiperidine derivatives PFIZER (US) 1999-10-13 CN disclosed
CN-1035944-C 3-aminopiperidine derivatives and related nitrogen-containing heterocyclic compounds PFIZER (US) 1997-09-24 CN disclosed
CN-1087083-A The intermediates preparation of synthetic 3-amino piperidine derivatives PFIZER (US) 1994-05-25 CN disclosed
CN-1053060-A 3-aminopiperidine derivatives and related nitrogen-containing heterocycles PFIZER (US) 1991-07-17 CN disclosed