SCHEMBL6745678

SCHEMBL6745678

CCCC(c1ccccc1)c1ccccc1OC(=O)Oc1ccccc1C(CCC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RECQL P46063 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
PTGS2 P35354 3/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AOC3 Q16853 1/20 0.37
ALDH1A1 P00352 2/20 0.37
FFAR1 O14842 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL6745681 0.91 MEN1 (0.40) KDM4EHPGDHSD17B10MTNR1AMTNR1B
SCHEMBL9075783 0.85 TDP1 (0.40) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL9076605 0.85 TSHR (0.40) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL6330054 0.82 MEN1 (0.51) MEN1KMT2AL3MBTL1POLBHTT
SCHEMBL9075787 0.76 TDP1 (0.40) KDM4EHPGDMEN1KMT2ARECQL
SCHEMBL15104782 0.76 PTGS2 (0.39) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL9076618 0.76 TSHR (0.40) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL6535197 0.76 PTGS2 (0.47) KDM4EHPGDHSD17B10CHRM2CHRM1
SCHEMBL28491387 0.76 ALDH1A1 (0.39) KDM4EHPGDMTNR1AMTNR1BMEN1
SCHEMBL4508231 0.76 ACP3 (0.36) MEN1KMT2APOLBAOC3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762250-B2 TRANSPARENCY, FLUIDITY; CONTAINING POLYSILOXANE HAVING AT LEAST AROMATIC HYDROCARBON FUNCTIONALITY, CARBOXYLIC ACID ESTER AND/OR ETHER LINKAGES AND PHOSPHORIC ESTER GROUP ATTACHMENT MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-07-13 US disclosed
US-20040054116-A1 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION 2004-03-18 US disclosed