SCHEMBL20166110

SCHEMBL20166110

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.43
PIN1 Q13526 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.39

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
SCHEMBL3051941 0.87 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL7638543 0.86 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNAL3MBTL1SMN1; SMN2
SCHEMBL9554785 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL9257520 0.83 SMN1; SMN2 (0.47) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL11802073 0.83 SMN1; SMN2 (0.50) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL28138500 0.82 ALDH1A1 (0.60) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL6136294 0.80 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL28487387 0.80 SMN1; SMN2 (0.48) ALDH1A1HSD17B10LMNAPOLBL3MBTL1
SCHEMBL28970987 0.79 ALDH1A1 (0.66) ALDH1A1LMNAPOLBSMN1; SMN2MAPT
SCHEMBL28488318 0.79 MEN1 (0.44) ALDH1A1HSD17B10LMNAPOLBL3MBTL1

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