SCHEMBL1823601

SCHEMBL1823601

O=C(O)CCc1cc(-c2ccccc2)c(-c2ccccc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.46
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KEAP1 Q14145 1/20 0.43
RPS6KB2 Q9UBS0 1/20 0.43
MAPK14 Q16539 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC22A12 Q96S37 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCC4 O15439 1/20 0.40

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
SCHEMBL7760695 0.83 OPRD1 (0.56) FFAR1HSD17B10ALDH1A1POLBMAPT
SCHEMBL1826922 0.83 POLB (0.45) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL1824382 0.83 HPGD (0.50) FFAR1HSD17B10ALDH1A1POLBMAPT
SCHEMBL1826614 0.76 MAPK14 (0.36) HSD17B10MAPTHTTMAPK14SLC22A12
SCHEMBL1822386 0.74 RXRA (0.44) PTGER1PTGER4PTGER3PTGER2POLB
SCHEMBL4619799 0.71 RPS6KB2 (0.60) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL1825175 0.70 MAPK14 (0.60) HSD17B10ALDH1A1POLBMAPTHTT
SCHEMBL20604117 0.70 FFAR1 (0.53) FFAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL4510014 0.70 CYP2A6 (0.58) HTTKEAP1RPS6KB2SLC22A12DRD2
SCHEMBL7902764 0.70 OPRD1 (0.54) ALDH1A1MAPTPKMTDP1MAPK14

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-1854804-B1 Heterocyclic metallocene compounds and use thereof in catalyst systems for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2011-05-04 EP disclosed
EP-1854804-A1 Heterocyclic metallocene compounds and use thereof in catalyst systems for producing olefin polymers Basell Polyolefine GmbH (DE) 2007-11-14 EP disclosed
US-7112638-B2 Hetero cyclic metallocene compounds and use thereof in catalyst system for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2006-09-26 US disclosed
US-20030036612-A1 Hetero cyclic metallocene compounds and use thereof in catalyst system for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2003-02-20 US disclosed
EP-1157027-A1 HETEROCYCLIC METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS Basell Technology Company B.V. (NL) 2001-11-28 EP disclosed
WO-2001047939-A1 HETEROCYCLIC METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-07-05 WO disclosed