SCHEMBL20165930

SCHEMBL20165930

CCCCC(C(=O)O)N(C(=O)OCC)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 2/20 0.33
PPARG P37231 2/20 0.33
PTGES O14684 1/20 0.33
PTGS2 P35354 1/20 0.33
PSEN1 P49768 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP1 P03956 1/20 0.33
MMP7 P09237 1/20 0.33
MMP12 P39900 1/20 0.33
ECE1 P42892 1/20 0.33
MMP13 P45452 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
SCHEMBL20166074 0.92 SMN1; SMN2 (0.39) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28481799 0.82 TSHR (0.36) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5980962 0.80 TSHR (0.40) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20165444 0.80 TSHR (0.40) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21522944 0.79 CYP2D6 (0.37) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28903531 0.79 L3MBTL1 (0.36) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20166090 0.76 MEN1 (0.42) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28488980 0.76 ALDH1A1 (0.35) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4767066 0.75 TSHR (0.37) TSHRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7286728 0.75 TSHR (0.37) TSHRALDH1A1CYP1A2CYP3A4CYP2D6

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