SCHEMBL7142649

SCHEMBL7142649

CCCCOc1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.66
NPC1 O15118 2/20 0.66
KDM4E B2RXH2 1/20 0.66
CYP2D6 P10635 7/20 0.63
CYP3A4 P08684 4/20 0.63
TDP1 Q9NUW8 2/20 0.59
TSHR P16473 2/20 0.59
CYP19A1 P11511 6/20 0.58
CYP2C9 P11712 6/20 0.58
CYP2C19 P33261 6/20 0.58
CYP1A2 P05177 4/20 0.58
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
RARB P10826 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LTA4H P09960 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL31550424 0.96 RAB9A (0.62) RAB9ANPC1KDM4ECYP2D6CYP3A4
SCHEMBL23803985 0.94 RARB (0.61) RAB9ANPC1KDM4ECYP2D6CYP3A4
SCHEMBL10609513 0.94 RARB (0.61) RAB9ANPC1KDM4ECYP2D6CYP3A4
SCHEMBL112238 0.94 TSHR (0.67) RAB9ANPC1KDM4ECYP2D6CYP3A4
SCHEMBL5380417 0.92 RAB9A (0.60) RAB9ANPC1KDM4ECYP2D6CYP3A4
SCHEMBL294772 0.89 NR5A1 (0.62) RAB9ANPC1KDM4ETDP1TSHR
SCHEMBL5583851 0.89 CYP2D6 (0.76) RAB9ANPC1KDM4ECYP2D6CYP3A4
SCHEMBL9151170 0.89 CYP2D6 (0.76) RAB9ANPC1KDM4ECYP2D6CYP3A4
Heptane SCHEMBL17330960 0.88 NR5A1 (0.66) RAB9ANPC1KDM4ETDP1TSHR
SCHEMBL1885176 0.88 NR5A1 (0.66) RAB9ANPC1KDM4ETDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11762276-B2 Photoresponsive compound Konica Minolta, Inc. (JP) 2023-09-19 US disclosed
US-20220043333-A1 PHOTORESPONSIVE COMPOUND Konica Minolta, Inc. (JP) 2022-02-10 US disclosed
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
EP-0671928-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2002-11-27 EP disclosed
EP-1258492-A1 N-substituted oligomers and methods for their synthesis, e.g. polyglycine bearing nucleic acid bases CHIRON CORPORATION (US) 2002-11-20 EP disclosed
US-5977301-A AUTOMATED AND EFFICIENT SYNTHESIS BY REACTING SOLID SUPPORT BOUND AMINE WITH AN ACYLATING SUBMONOMER TO PRODUCE A SOLID SUPPORT-BOUND AMIDE WHICH CAN BE FURTHER REACTED; ONLY REACTIVE SIDE CHAINS NEED PROTECTED CHIRON CORPORATION (US) 1999-11-02 US disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
US-5831005-A ACYLATION, NUCLEOPHILIC DISPLACEMENT CYCLES CHIRON CORPORATION (US) 1998-11-03 US disclosed
EP-0789577-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 1998-07-22 EP disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
EP-0671928-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS. CHIRON CORP (US) 1997-04-23 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 WO disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
EP-0671928-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1995-09-20 EP disclosed
US-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed