SCHEMBL10488665

SCHEMBL10488665

O=C(O)CCCCCC1(CC(=O)O)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
TSHR P16473 3/20 0.53
CYP1A2 P05177 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
BLM P54132 1/20 0.53
CACNA2D1 P54289 1/20 0.53
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 2/20 0.40
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38

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
SCHEMBL9861918 0.90 TSHR (0.50) LMNATSHRCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL8735253 0.84 TSHR (0.52) LMNATSHRCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL8736487 0.84 TSHR (0.52) LMNATSHRCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL8736615 0.84 TSHR (0.52) LMNATSHRCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL10534570 0.84 TSHR (0.52) LMNATSHRCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL27272549 0.84 TSHR (0.52) LMNATSHRCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL27270393 0.84 TSHR (0.52) LMNATSHRCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL27274533 0.84 TSHR (0.52) LMNATSHRCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL3402007 0.82 ALDH1A1 (0.57) LMNATSHRCYP1A2SMN1; SMN2ALDH1A1
SCHEMBL771865 0.82 CYP1A2 (0.45) LMNATSHRCYP1A2SMN1; SMN2ALDH1A1

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-4810778-A OLIGOPEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1989-03-07 US disclosed