SCHEMBL28060731

SCHEMBL28060731

CC1(C)CCC1(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.43
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
CYP2C19 P33261 2/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
NSD2 O96028 1/20 0.33
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRM4 Q14833 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL5278783 0.81 FFAR3 (0.37) FFAR3ARG1ARG2CYP2C19TSHR
SCHEMBL9665669 0.78
SCHEMBL8169600 0.78
SCHEMBL25660640 0.78
Methane SCHEMBL1055333 0.76 FFAR3 (0.39) FFAR3ARG1ARG2CYP2C19TSHR
SCHEMBL25660649 0.72 NSD2 (0.36) FFAR3CYP2C19TSHRNSD2GRM2
SCHEMBL11941501 0.68
SCHEMBL10750643 0.67 FFAR3 (0.48) FFAR3CYP2C19TSHRNFKB1LMNA
SCHEMBL18438824 0.67 FFAR3 (0.48) FFAR3CYP2C19TSHRNFKB1LMNA
SCHEMBL10726513 0.67 FFAR3 (0.42) FFAR3TDP1

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
CN-102656180-B As the feather fan alcohol type triterpene derivative of antiviral drug HETERO RESEARCH FOUNDATION (IN) 2016-04-20 CN disclosed