SCHEMBL20165989

SCHEMBL20165989

CCOC(=O)C(C)C(C)N(C(=O)OCC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
PIN1 Q13526 1/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL28487387 0.91 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL28138500 0.84 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL11802073 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL9554785 0.81 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL5696562 0.80 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL28902218 0.79 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL9257520 0.78 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL20165461 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL20166110 0.77 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB
SCHEMBL21522949 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541857-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2020-09-09 EP disclosed
US-10654946-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2020-05-19 US disclosed
US-20190330388-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2019-10-31 US disclosed
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