SCHEMBL4889543

SCHEMBL4889543

CCC(C)CC(CC)C(O)CCCO

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.33
SPHK1 Q9NYA1 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9875117 0.85 LMNA (0.44) LMNAPTPN1SPHK1TRPV1TRPA1
SCHEMBL4893475 0.84 LMNA (0.42) LMNA
SCHEMBL52683 0.82 LMNA (0.30) LMNA
SCHEMBL8557710 0.78 LMNA (0.39) LMNAPTPN1SPHK1TRPV1TRPA1
SCHEMBL27240038 0.77 TSHR (0.33) PTPN1ALDH1A1
SCHEMBL1659051 0.76 ALDH1A1 (0.35) LMNATRPA1ALDH1A1
SCHEMBL21151943 0.76 ALDH1A1 (0.35) LMNATRPA1ALDH1A1
SCHEMBL3645948 0.76 LMNA (0.50) LMNAPTPN1SPHK1TRPV1TRPA1
SCHEMBL29023671 0.75 LMNA (0.45) LMNAPTPN1SPHK1TRPV1TRPA1
SCHEMBL5675272 0.74 LMNA (0.48) LMNAPTPN1SPHK1TRPV1TRPA1

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-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed