SCHEMBL28630718

SCHEMBL28630718

CCCCOC(=O)C1(CCCC)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
CETP P11597 4/20 0.43
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.40
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 2/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL16652987 0.90 CYP4F2 (0.51) CYP4F2CYP4A11CETPTSHRACHE
SCHEMBL14697386 0.90 CYP4F2 (0.51) CYP4F2CYP4A11CETPTSHRACHE
SCHEMBL14697097 0.90 CYP4F2 (0.51) CYP4F2CYP4A11CETPTSHRACHE
SCHEMBL8411261 0.90 CYP4F2 (0.51) CYP4F2CYP4A11CETPTSHRACHE
SCHEMBL16653040 0.90 CYP4F2 (0.51) CYP4F2CYP4A11CETPTSHRACHE
SCHEMBL27260326 0.88 CYP4F2 (0.53) CYP4F2CYP4A11CETPTSHRACHE
SCHEMBL21399965 0.88 CYP4F2 (0.47) CYP4F2CYP4A11CETPALDH1A1MEN1
SCHEMBL187121 0.87 CYP4F2 (0.45) CYP4F2CYP4A11CETPALDH1A1ATM
SCHEMBL187102 0.87 CYP4F2 (0.45) CYP4F2CYP4A11CETPALDH1A1ATM
SCHEMBL10264464 0.87 CYP4F2 (0.45) CYP4F2CYP4A11CETPALDH1A1ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925832-A Manual gearbox oil additive composition and application thereof 中国石油天然气股份有限公司 2023-10-24 CN disclosed
CN-113249987-A Phosphorus-free and nitrogen-free dyeing promotion repairing agent and preparation method thereof 广东湛丰精细化工有限公司 2021-08-13 CN disclosed