SCHEMBL20165444

SCHEMBL20165444

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 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
SCHEMBL5980962 1.00 TSHR (0.40) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20166090 0.87 MEN1 (0.42) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28903531 0.86 L3MBTL1 (0.36) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7286728 0.85 TSHR (0.37) TSHRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4767066 0.85 TSHR (0.37) TSHRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL28482934 0.83 ALDH1A1 (0.37) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7771226 0.83 NAAA (0.41) TSHRL3MBTL1
SCHEMBL20166074 0.82 SMN1; SMN2 (0.39) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20165960 0.81 TSHR (0.38) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28488446 0.81 TSHR (0.36) TSHRALDH1A1MEN1KMT2ASMN1; SMN2

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
EP-3541857-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2019-09-25 EP disclosed
WO-2018091375-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 WO disclosed