SCHEMBL22550126

SCHEMBL22550126

CCC(=O)C1(C)CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD11B1 P28845 1/20 0.37
FFAR3 O14843 2/20 0.36
CETP P11597 3/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX7 Q99572 1/20 0.33
RIPK1 Q13546 1/20 0.32
LMNA P02545 2/20 0.32
CYP19A1 P11511 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CCR2 P41597 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL12883183 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HSD11B1FFAR3CETP
SCHEMBL7968390 0.97 FFAR3 (0.38) ALDH1A1SMN1; SMN2HSD11B1FFAR3CETP
SCHEMBL27878705 0.92
SCHEMBL8025488 0.87
SCHEMBL7080172 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HSD11B1FFAR3CETP
SCHEMBL7080167 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HSD11B1FFAR3CETP
SCHEMBL16887657 0.79 POLB (0.34) FFAR3LMNA
SCHEMBL8536096 0.79 LMNA (0.39) ALDH1A1SMN1; SMN2HSD11B1FFAR3CYP2C19
SCHEMBL21238456 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HSD11B1FFAR3CETP
SCHEMBL561450 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HSD11B1FFAR3CETP

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
WO-2020210630-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2020-10-15 WO disclosed