SCHEMBL12173552

SCHEMBL12173552

CCOC(=O)C(O)CCCCC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PAOX Q6QHF9 1/20 0.38
CPB2 Q96IY4 1/20 0.38
POLB P06746 1/20 0.37
FFAR4 Q5NUL3 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL29001469 0.94 ALDH1A1 (0.39) KMT2AGPR84FFAR1ALDH1A1LMNA
SCHEMBL12190162 0.85 CYP1A2 (0.52) KMT2AALDH1A1LMNAHSD17B10POLB
SCHEMBL28343057 0.83 KMT2A (0.53) KMT2AALDH1A1LMNAHSD17B10POLB
SCHEMBL28343058 0.83 FFAR1 (0.55) KMT2AGPR84FFAR1ALDH1A1HSD17B10
SCHEMBL15154065 0.83 KMT2A (0.53) KMT2AALDH1A1LMNAHSD17B10POLB
SCHEMBL4249572 0.83 FFAR1 (0.55) KMT2AGPR84FFAR1ALDH1A1HSD17B10
SCHEMBL3019389 0.82 GPR84 (0.57) GPR84FFAR1FFAR4
SCHEMBL22631834 0.81 GPR84 (0.49) GPR84FFAR1FFAR4
SCHEMBL509990 0.80 GPR84 (0.61) GPR84FFAR1FFAR4
SCHEMBL9773213 0.80 GPR84 (0.61) GPR84FFAR1FFAR4

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-20120231512-A1 PREPARATION OF ALPHA-KETOPIMELIC ACID DSM IP ASSETS B.V. (NL) 2012-09-13 US disclosed