SCHEMBL4624878

SCHEMBL4624878

CC1=C(c2ccccc2)CC=C1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
ALDH1A1 P00352 2/20 0.33
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
BACE1 P56817 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL14663755 0.76 KMT2A (0.42) CFTRGOPCALDH1A1PTGS2PTGS1
SCHEMBL9506721 0.76 KMT2A (0.42) CFTRGOPCALDH1A1PTGS2PTGS1
SCHEMBL8015853 0.68 CFTR (0.35) CFTRGOPCALDH1A1PTGS2PTGS1
SCHEMBL14723151 0.68 BACE1 (0.34) CFTRGOPCALDH1A1L3MBTL1BACE1
Hydrochloric Acid SCHEMBL6813392 0.67 CYP2A6 (0.31) ALDH1A1BACE1
SCHEMBL8191410 0.65 BACE1 (0.44) CFTRGOPCALDH1A1KMT2ABACE1
SCHEMBL28873124 0.64 PTPN1 (0.47) CFTRGOPCALDH1A1KMT2AL3MBTL1
SCHEMBL28383000 0.64 CFTR (0.44) CFTRGOPCALDH1A1PTGS2PTGS1
SCHEMBL23172855 0.63 NOS3 (0.32) ALDH1A1LMNATSHRALOX12ACHE
SCHEMBL31497105 0.63 ALDH1A1 (0.47) CFTRGOPCALDH1A1BACE1MAPK1

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-0963382-B2 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXONMOBIL CHEM PATENTS INC (US) 2008-07-02 EP disclosed
US-6451938-B1 CATALYTIC COMPLEX FORMED BY ACTIVATING TRANSITION METAL COMPOUNDS COMPRISING CYCLOPENTADIENIDE ANIONS WHICH BEAR FUSED HETEROCYCLIC RINGS EXXON MOBIL CHEMICAL PATENTS INC. 2002-09-17 US disclosed
EP-0963382-B1 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXONMOBIL CHEM PATENTS INC (US) 2001-11-14 EP disclosed
EP-0963382-A1 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXON CHEMICAL PATENTS INC. (US) 1999-12-15 EP disclosed
WO-1998037106-A1 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXON CHEMICAL PATENTS INC. (US) 1998-08-27 WO disclosed