SCHEMBL29168787

SCHEMBL29168787

CCCC(=O)CC1(C(=O)OC)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.35
P2RX7 Q99572 1/20 0.34
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MME P08473 1/20 0.30
CETP P11597 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
SCHEMBL6061189 0.84 SMN1; SMN2 (0.35) CYP4F2CYP4A11CYP2C19MAPTMEN1
SCHEMBL17155 0.77 CYP4F2 (0.56) CYP4F2CYP4A11NPSR1LMNAP2RX7
SCHEMBL1747921 0.76 CYP4F2 (0.51) CYP4F2CYP4A11NPSR1LMNAP2RX7
SCHEMBL13904685 0.76 CYP2C19 (0.61) CYP4F2CYP4A11NPSR1LMNAP2RX7
SCHEMBL17857 0.75 CYP4F2 (0.55) CYP4F2CYP4A11NPSR1LMNAP2RX7
SCHEMBL11088776 0.74 CYP4F2 (0.69) CYP4F2CYP4A11NPSR1P2RX7MAPT
Hydrochloric Acid SCHEMBL8090524 0.74 CYP2C19 (0.59) CYP4F2CYP4A11NPSR1LMNAP2RX7
SCHEMBL3468351 0.73 CYP4F2 (0.43) CYP4F2CYP4A11NPSR1CYP2C19
SCHEMBL5271625 0.73 CYP4F2 (0.58) CYP4F2CYP4A11NPSR1LMNAP2RX7
SCHEMBL3699939 0.73 CYP4F2 (0.49) CYP4F2CYP4A11NPSR1P2RX7CYP2C19

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-117466724-A Preparation method of 2-amyl-2-cyclopentene-1-ketone 浙江工业大学 2024-01-30 CN disclosed