SCHEMBL4624068

SCHEMBL4624068

CC(CC1=CCC=C1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
NISCH Q9Y2I1 3/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 2/20 0.39
TRPA1 O75762 2/20 0.38
RIPK1 Q13546 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
SCHEMBL14219357 0.73 CNR1 (0.36) TAAR1MAOAMAOBNISCHCYP2D6
SCHEMBL8164295 0.70 TAAR1 (0.41) TAAR1MAOAMAOBNISCHKDM4E
SCHEMBL20972478 0.70 TAAR1 (0.41) TAAR1MAOAMAOBNISCHKDM4E
SCHEMBL20972479 0.69 TAAR1 (0.44) TAAR1MAOAMAOBNISCHKDM4E
SCHEMBL67206 0.68 TAAR1 (0.42) TAAR1MAOAMAOBNISCHKDM4E
SCHEMBL535702 0.68 TAAR1 (0.56) TAAR1MAOACYP2D6AOC3TRPA1
SCHEMBL8983689 0.68 TAAR1 (0.56) TAAR1MAOACYP2D6AOC3TRPA1
SCHEMBL9069704 0.68 ESR1 (0.61) TAAR1MAOAMAOBNISCHAOC3
SCHEMBL14799062 0.68 TAAR1 (0.56) TAAR1MAOACYP2D6AOC3TRPA1
SCHEMBL28418602 0.67 TAAR1 (0.50) TAAR1MAOAMAOBNISCHALDH1A1

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