SCHEMBL6650232

SCHEMBL6650232

[CH]1C=Cc2c1cccc2-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 3/20 0.34
BCL2L1 Q07817 2/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.34
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
XBP1 P17861 1/20 0.32
PTBP1 P26599 1/20 0.32

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
SCHEMBL26190 0.96 ALDH1A1 (0.37) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL27463443 0.94 ALDH1A1 (0.35) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL6537049 0.92 ALDH1A1 (0.30) ALDH1A1HSD17B10BCL2L1MAPK1HPGD
SCHEMBL6652749 0.89 PTGER1 (0.38) ALDH1A1MEN1APAF1NPC1LMNA
SCHEMBL6152668 0.89 ALDH1A1 (0.32) ALDH1A1MEN1APAF1NPC1LMNA
SCHEMBL27477267 0.89 ALDH1A1 (0.36) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL20972417 0.89 CYP2A6 (0.36) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL27463823 0.89 CYP2A6 (0.36) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL27462619 0.89 CYP2A6 (0.36) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL27477693 0.89 ALDH1A1 (0.36) PTGS2ALDH1A1HSD17B10BCL2L1MAPK1

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
EP-1421090-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM Exxonmobil Chemical Patents Inc. (US) 2004-05-26 EP disclosed
WO-2003002583-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-09 WO disclosed