SCHEMBL3898671

SCHEMBL3898671

c1ccc2c(c1)c1c(c3ccccc32)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TSHR P16473 2/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
ABCC4 O15439 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38

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
SCHEMBL8662857 0.94 PARP1 (0.50) PARP1HSD17B10BCHEACHECA1
SCHEMBL8661416 0.88 PARP1 (0.50) PARP1HSD17B10BCHEACHECA1
SCHEMBL10879816 0.78 ALDH1A1 (0.46) PARP1HSD17B10BCHEACHETSHR
SCHEMBL30881978 0.77 ALDH1A1 (0.53) PARP1HSD17B10MEN1KMT2AKDM4E
SCHEMBL3749327 0.76 GPR3 (0.42) PARP1HSD17B10MEN1KMT2AACHE
SCHEMBL1168007 0.76 GPR3 (0.42) PARP1HSD17B10MEN1KMT2AACHE
SCHEMBL3661809 0.73 CDC7 (0.44) HSD17B10MEN1KMT2ATSHRCYP1A2
SCHEMBL1826535 0.73 HPRT1 (0.54) HSD17B10ACHETSHRCYP1A2ALDH1A1
SCHEMBL15466319 0.73 HPRT1 (0.40) PARP1HSD17B10CA1CA2TSHR
SCHEMBL1701187 0.71 ACHE (0.44) PARP1ACHETSHRCYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023339-B1 ELASTIC POLYPROPYLENES AND CATALYSTS FOR THEIR MANUFACTURE MINNESOTA MINING & MFG (US) 2009-03-04 EP disclosed
EP-0983284-A4 SYNTHESIS OF N-SILYLATED CYCLOPENTAPHENANTHRENE COMPOUNDS BOULDER SCIENT CO (US) 2002-11-13 EP disclosed
US-6448358-B2 PROPYLENE HOMOPOLYMER SOLUBLE IN NONPOLAR ORGANIC SOLVENT SUCH AS TOLUENE, HAVING GIVEN PHYSICAL PROPERTIES AND STEREOREGULARITY INDEX; METALLOCENE CATALYSTS CONTAINING BIRDGED LIGAND HAVING FLUORENYL RING 3M INNOVATIVE PROPERTIES COMPANY 2002-09-10 US disclosed
US-6429274-B1 CREEP RESISTANT, EXTENSIBLE POLYMER WITH HIGHLY SYNDIOTACTIC (OR HIGHLY ISOTACTIC) REGIONS AND ATACTIC REGIONS; SOLUBLE IN TOLUENE, XYLENE, HEPTANE, AND HEXANE 3M INNOVATIVE PROPERTIES COMPANY 2002-08-06 US disclosed
US-6323151-B1 METALLOCENE CATALYSTS FOR PREPARING POLYPROPYLENE HAVING STEREREGULARITY INTERMEDIATE BETWEEN THOSE THAT ARE HIGHLY SYNDIOTACTIC (OR HIGHLY ISOTACTIC) AND THOSE THAT ARE ATACTIC; NONMETAL INTERMEDIATES 3M INNOVATIVE PROPERTIES COMPANY 2001-11-27 US disclosed
US-20010044515-A1 Elastic polypropylenes and catalysts for their manufacture 3M INNOVATIVE PROPERTIES COMPANY 2001-11-22 US disclosed
US-6265512-B1 SOLUBLE IN ORGANIC SOLVENTS 3M INNOVATIVE COMPANY 2001-07-24 US disclosed
EP-1023339-A2 ELASTIC POLYPROPYLENES AND CATALYSTS FOR THEIR MANUFACTURE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-08-02 EP disclosed
EP-0983284-A1 SYNTHESIS OF N-SILYLATED CYCLOPENTAPHENANTHRENE COMPOUNDS BOULDER SCIENTIFIC COMPANY (US) 2000-03-08 EP disclosed
US-5965757-A Synthesis of N-silylated cyclopentaphenanthrene compounds BOULDER SCIENTIFIC COMPANY (US) 1999-10-12 US disclosed
WO-1999040096-A1 SYNTHESIS OF N-SILYLATED CYCLOPENTAPHENANTHRENE COMPOUNDS BOULDER SCIENTIFIC COMPANY (US) 1999-08-12 WO disclosed
WO-1999020664-A2 ELASTIC POLYPROPYLENES AND CATALYSTS FOR THEIR MANUFACTURE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-04-29 WO disclosed