SCHEMBL9700954

SCHEMBL9700954

CCCCCCC(CC)CCCCCCCCCCCCCCC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
FFAR1 O14842 1/20 0.48
LMNA P02545 1/20 0.48
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
ALDH1A1 P00352 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
GPR84 Q9NQS5 1/20 0.45

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
SCHEMBL7152069 1.00 CA2 (0.53) CA2TSHRCYP3A4ATMTDP1
SCHEMBL5086474 0.96 CA2 (0.58) CA2TSHRCYP3A4ATMTDP1
SCHEMBL15709916 0.92 CA2 (0.58) CA2TSHRCYP3A4ATMTDP1
SCHEMBL11348763 0.92 CA2 (0.58) CA2TSHRCYP3A4ATMTDP1
SCHEMBL6677823 0.92 CA2 (0.48) CA2TSHRCYP3A4ATMTDP1
SCHEMBL16023959 0.92 LMNA (0.52) TSHRTDP1FFAR4FFAR1LMNA
SCHEMBL14628150 0.90 CA2 (0.60) CA2TSHRCYP3A4ATMTDP1
SCHEMBL5068644 0.90 PAOX (0.48) CA2TSHRCYP3A4ATMTDP1
SCHEMBL15402211 0.88 FFAR4 (0.48) TSHRTDP1FFAR4FFAR1LMNA
SCHEMBL22602510 0.88 LMNA (0.52) CA2FFAR4FFAR1LMNACES2

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
EP-0485256-A1 Process for the separation of the rare earths RHONE-POULENC CHIMIE (FR) 1992-05-13 EP disclosed