SCHEMBL18113182

SCHEMBL18113182

CCCOC(=O)Sc1ccccc1C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TSHR P16473 7/20 0.57
▸ HSD17B10 Q99714 5/20 0.50
▸ LMNA P02545 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ CDC25B P30305 1/20 0.43
▸ MAPK10 P53779 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL18113159 0.91 TSHR (0.65) ALDH1A1TSHRHSD17B10LMNANPSR1
SCHEMBL19895790 0.85 TSHR (0.61) ALDH1A1TSHRHSD17B10LMNANPSR1
SCHEMBL888567 0.81 ALDH1A1 (0.89) ALDH1A1TSHRHSD17B10LMNATDP1
SCHEMBL18113301 0.80 TSHR (0.62) ALDH1A1TSHRHSD17B10LMNANPSR1
SCHEMBL18113099 0.80 TSHR (0.62) ALDH1A1TSHRHSD17B10LMNANPSR1
SCHEMBL944028 0.79 TSHR (0.71) ALDH1A1TSHRHSD17B10LMNANPSR1
SCHEMBL11633418 0.79 TSHR (0.71) ALDH1A1TSHRHSD17B10LMNANPSR1
SCHEMBL18113235 0.79 TSHR (0.61) ALDH1A1TSHRHSD17B10LMNANPSR1
SCHEMBL16576988 0.78 ALDH1A1 (0.71) ALDH1A1TSHRHSD17B10LMNANPSR1
SCHEMBL10398535 0.78 CA12 (0.59) ALDH1A1TSHRHSD17B10LMNANPSR1

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-3277736-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-03-27 — — EP disclosed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 — — US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 — — US disclosed
EP-3277736-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-02-07 — — EP disclosed
WO-2016156473-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-10-06 — — WO disclosed
Send feedback