SCHEMBL28488446

SCHEMBL28488446

CCOC(=O)N(C1CCCCC1)C(CC(=O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FFAR1 O14842 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL20165987 0.90 CYP2D6 (0.40) TSHRALDH1A1CYP2D6MEN1KMT2A
SCHEMBL28482934 0.86 ALDH1A1 (0.37) TSHRALDH1A1CYP2D6MEN1KMT2A
SCHEMBL28489538 0.83 ALDH1A1 (0.37) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28489549 0.82 ALDH1A1 (0.35) TSHRALDH1A1CYP2D6MEN1KMT2A
SCHEMBL28481182 0.82 MEN1 (0.37) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20165444 0.81 TSHR (0.40) TSHRALDH1A1CYP2D6MEN1KMT2A
SCHEMBL5980962 0.81 TSHR (0.40) TSHRALDH1A1CYP2D6MEN1KMT2A
SCHEMBL28488967 0.81 ALDH1A1 (0.39) TSHRALDH1A1CYP2D6MEN1KMT2A
SCHEMBL20166090 0.81 MEN1 (0.42) TSHRALDH1A1CYP2D6MEN1KMT2A
SCHEMBL28488980 0.80 ALDH1A1 (0.35) TSHRALDH1A1CYP2D6MEN1KMT2A

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-109890852-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2020-10-20 CN disclosed