SCHEMBL9763216

SCHEMBL9763216

O=[C]C1=CCC(=O)C(c2ccccc2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PTPN1 P18031 2/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
CDC25B P30305 1/20 0.34
HSD17B3 P37058 1/20 0.34
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CCR6 P51684 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

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
SCHEMBL8191410 0.76 BACE1 (0.44) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL28862246 0.74 BACE1 (0.41) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL167390 0.68 BACE1 (0.35) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL9763428 0.68 BACE1 (0.38) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL8526909 0.67
SCHEMBL29035103 0.67 BACE1 (0.45) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL28873124 0.66 PTPN1 (0.47) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL8902488 0.65 BACE1 (0.46) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL668518 0.62 BACE1 (0.39) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL30021759 0.60 BACE1 (0.38) BACE1MAOAMAOBPTPN1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450932-A2 Melt-processable polyester capable of forming an anisotropic melt which exhibits a highly attractive balance between its molding and heat deflection temperatures HOECHST CELANESE CORPORATION (US) 1991-10-09 EP disclosed
US-5015722-A Polylactones and polyesters as molding materials HOECHST CELANESE CORPORATION (US) 1991-05-14 US disclosed
EP-0102160-B1 ANISOTROPIC MELT PROCESSABLE POLYESTER COMPRISING RELATIVELY LOW CONCENTRATION OF 6-OXY-2-NAPHTHOYL MOIETY CELANESE CORPORATION (US) 1986-12-17 EP disclosed
US-4522974-A Melt processable polyester capable of forming an anisotropic melt comprising a relatively low concentration of 6-oxy-2-naphthoyl moiety-4-benzoyl moiety, 1,4-dioxyphenylene moiety, isophthaloyl moiety and terephthaloyl moiety CELANESE CORPORATION (US) 1985-06-11 US disclosed
US-4473682-A Melt processable polyester capable of forming an anisotropic melt comprising a relatively low concentration of 6-oxy-2-naphthoyl moiety, 4-oxybenzoyl moiety, 4,4'-dioxybiphenyl moiety, and terephthaloyl moiety CELANESE CORPORATION (US) 1984-09-25 US disclosed
US-4429100-A LOW-MELTING, ANISOTROPIC, AROMATIC COPOLYMERS, FIBERS, FILMS CELANESE CORPORATION (US) 1984-01-31 US disclosed
US-4299756-A FIBERS, FILMS, AND MOLDING MATERIALS CELANESE CORPORATION (US) 1981-11-10 US disclosed
US-4299756-A FIBERS, FILMS, AND MOLDING MATERIALS CELANESE CORPORATION (US) 1981-11-10 US disclosed
US-4279803-A Polyester of phenyl-4-hydroxybenzoic acid and 4-hydroxybenzoic acid and/or 6-hydroxy-2-naphthoic acid capable of forming an anisotropic melt CELANESE CORPORATION (US) 1981-07-21 US disclosed
US-4279803-A Polyester of phenyl-4-hydroxybenzoic acid and 4-hydroxybenzoic acid and/or 6-hydroxy-2-naphthoic acid capable of forming an anisotropic melt CELANESE CORPORATION (US) 1981-07-21 US disclosed