SCHEMBL16236880

SCHEMBL16236880

COc1ccc(C)c(C)c1-c1c(OC(C)=O)ccc(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ PTPN1 P18031 2/20 0.47
▸ TNFSF11 O14788 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ ACHE P22303 2/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ JUN P05412 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ VCP P55072 1/20 0.39
▸ NCEH1 Q6PIU2 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
Hydrochloric Acid SCHEMBL16236422 0.86 PTPN1 (0.44) TSHRPTPN1TNFSF11NR3C1ACHE
SCHEMBL16236511 0.84 PIM1 (0.58) TSHRPTPN1ACHEPIM1ALDH1A1
Hydrochloric Acid SCHEMBL16239740 0.83 PTPN1 (0.44) TSHRPTPN1ACHEPIM1ALDH1A1
SCHEMBL16239270 0.81 ELANE (0.42) ALDH1A1NCEH1
SCHEMBL16236329 0.81 PTPN1 (0.43) TSHRPTPN1ACHEPIM1ALDH1A1
Hydrochloric Acid SCHEMBL16236357 0.80 PTPN1 (0.43) TSHRPTPN1ACHEPIM1ALDH1A1
SCHEMBL16237634 0.80 PTPN1 (0.46) TSHRPTPN1ACHEPIM1ALDH1A1
SCHEMBL16237221 0.79 PTPN1 (0.51) TSHRPTPN1ALDH1A1PTGS1POLB
SCHEMBL16236564 0.79 KMT2A (0.49) TSHRPOLBVCP
SCHEMBL6269458 0.79 PTPN1 (0.57) TSHRPTPN1ACHEPIM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997050-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2018-01-17 — — EP disclosed
US-9714303-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2017-07-25 — — US disclosed
US-20160115261-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia, s.r.l. (IT) 2016-04-28 — — US disclosed
EP-2997050-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2016-03-23 — — EP disclosed
WO-2014184171-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2014-11-20 — — WO disclosed
EP-2803678-A1 Catalyst components for the polymerization of olefins Basell Poliolefine Italia S.r.l. (IT) 2014-11-19 — — EP disclosed
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