SCHEMBL18113303

SCHEMBL18113303

CCCCc1ccc(C(=O)Sc2ccccc2C(=O)OCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MAPK1 P28482 2/20 0.43

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
SCHEMBL18113097 0.93 TSHR (0.50) TSHRALDH1A1LMNANPSR1KDM4E
SCHEMBL18113111 0.84 TSHR (0.59) TSHRALDH1A1LMNANPSR1KDM4E
SCHEMBL18113194 0.82 TSHR (0.53) TSHRALDH1A1LMNANPSR1KDM4E
SCHEMBL18113084 0.80 TSHR (0.63) TSHRALDH1A1LMNAKDM4EMAPT
SCHEMBL6813025 0.79 TSHR (0.51) TSHRALDH1A1LMNANPSR1KDM4E
SCHEMBL18113269 0.78 TSHR (0.50) TSHRALDH1A1LMNANPSR1KDM4E
SCHEMBL570747 0.77 ESR1 (0.59) TSHRALDH1A1LMNAHPGDTRPV1
SCHEMBL18113099 0.76 TSHR (0.62) TSHRALDH1A1LMNANPSR1KDM4E
SCHEMBL18113241 0.75 ALDH1A1 (0.55) TSHRALDH1A1LMNANPSR1GAA
SCHEMBL18113159 0.74 TSHR (0.65) TSHRALDH1A1LMNANPSR1KDM4E

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
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