SCHEMBL4623291

SCHEMBL4623291

C1=CC(Cc2ccccc2)C=C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
GBA1 P04062 1/20 0.40
TSHR P16473 2/20 0.38
IDO1 P14902 1/20 0.38
TP53 P04637 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL5794073 0.97 CALM1 (0.39) CALM1GBA1TSHRIDO1TP53
SCHEMBL4357593 0.89 CALM1 (0.45) CALM1GBA1TSHRIDO1TP53
SCHEMBL6002826 0.87 CALM1 (0.39) CALM1GBA1TSHRIDO1TP53
SCHEMBL4361398 0.78 GBA1 (0.41) CALM1GBA1NOS1NOS2POLB
SCHEMBL27437866 0.73 ALDH1A1 (0.42) LOXL2ALDH1A1
SCHEMBL28187388 0.70 LMNA (0.35) CALM1GBA1NOS1NOS2
SCHEMBL545248 0.70 TSHR (0.56) TSHRIDO1POLB
SCHEMBL27275720 0.70 ALDH1A1 (0.39) LOXL2ALDH1A1
SCHEMBL10321041 0.70 GBA1 (0.47) GBA1NOS1NOS2
SCHEMBL6129603 0.69 GBA1 (0.33) CALM1GBA1ALDH1A1NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410237-A Synthesis method of non-bridged symmetrical metallocene catalyst, product and application thereof 中国石油天然气股份有限公司 2023-07-11 CN disclosed
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
CN-1136548-A Process for preparation of cyclopentadinyl compounds and compounds obtained therefrom MONTELL TECHNOLOGY COMPANY BV (NL) 1996-11-27 CN disclosed