SCHEMBL10052697

SCHEMBL10052697

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
FFAR4 Q5NUL3 1/20 0.47
FFAR1 O14842 1/20 0.47
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
GSTK1 Q9Y2Q3 2/20 0.45
ENPEP Q07075 1/20 0.44
TET2 Q6N021 3/20 0.43
KDM4A O75164 2/20 0.43
KDM4C Q9H3R0 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
BHMT Q93088 2/20 0.43
TET3 O43151 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL15987066 1.00 LMNA (0.48) LMNAFFAR4FFAR1TSHRNFKB1
SCHEMBL23398226 0.93 TET2 (0.44) LMNAFFAR4FFAR1TSHRNFKB1
SCHEMBL10052699 0.93 TET2 (0.44) LMNAFFAR4FFAR1TSHRNFKB1
SCHEMBL31363055 0.84 TSHR (0.60) LMNAFFAR4FFAR1TSHRNFKB1
SCHEMBL4657298 0.84 TSHR (0.60) LMNAFFAR4FFAR1TSHRNFKB1
SCHEMBL11096345 0.84 TSHR (0.60) LMNAFFAR4FFAR1TSHRNFKB1
SCHEMBL527023 0.84 TSHR (0.60) LMNAFFAR4FFAR1TSHRNFKB1
SCHEMBL261624 0.84 TET2 (0.54) TSHRTET2KDM4AKDM4CKDM2A
SCHEMBL2928385 0.84 TET2 (0.54) TSHRTET2KDM4AKDM4CKDM2A
SCHEMBL11618406 0.82 TSHR (0.57) LMNAFFAR4FFAR1TSHRNFKB1

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-20120028320-A1 PREPARATION OF ADIPIC ACID DSM IP ASSETS B.V. (NL) 2012-02-02 US disclosed