SCHEMBL20166038

SCHEMBL20166038

CCCCN(C(=O)OCc1ccccc1)C(CC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CCR6 P51684 1/20 0.42
PAX8 Q06710 1/20 0.42
CETP P11597 3/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
FOLH1 Q04609 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 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
SCHEMBL11571244 0.86 CTRC (0.45) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL31194876 0.86 EPOR (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL21804771 0.86 EPOR (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL20794168 0.85 ALDH1A1 (0.49) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL27644244 0.84 FOLH1 (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL27644241 0.84 FOLH1 (0.50) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL27870520 0.83 ITGB3 (0.43) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL27916412 0.82 EPOR (0.47) FOLH1
SCHEMBL31190486 0.82 FOLH1 (0.44) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL24245490 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAPOLBHSD17B10

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