SCHEMBL8749330

SCHEMBL8749330

CCCCC1C[CH]CCCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
SIGMAR1 Q99720 3/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
BCHE P06276 1/20 0.31
MAPT P10636 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
NAAA Q02083 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
SCHEMBL9403435 0.98 CYP1A2 (0.63) CYP1A2NOS1NOS2SIGMAR1LMNA
SCHEMBL5354505 0.94 CYP1A2 (0.56) CYP1A2NOS1NOS2SIGMAR1LMNA
SCHEMBL27724374 0.94 CYP1A2 (0.56) CYP1A2NOS1NOS2SIGMAR1LMNA
SCHEMBL5146177 0.91 CYP1A2 (0.53) CYP1A2SIGMAR1NAAA
SCHEMBL9979438 0.88 CYP1A2 (0.48) CYP1A2SIGMAR1LMNAMAPK1HTT
SCHEMBL10996093 0.88 CYP1A2 (0.65) CYP1A2NOS1NOS2SIGMAR1LMNA
SCHEMBL11851017 0.88 CYP1A2 (0.41) CYP1A2NOS1NOS2
SCHEMBL1986714 0.87
SCHEMBL9979342 0.86 CYP1A2 (0.47) CYP1A2SIGMAR1HTTNAAA
SCHEMBL11860033 0.86 CYP1A2 (0.47) CYP1A2SIGMAR1HTTNAAA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113330096-A Use of substituted or unsubstituted polycyclic aromatic hydrocarbon compounds for high resolution microscopy 马克斯·普朗克索赔科学公司 2021-08-31 CN disclosed
US-5639885-A Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1997-06-17 US disclosed
US-5637601-A ANTIPERSPIRANT, MYDRIATIC, ANTISECRETORY AGENTS UNIVERSITY OF FLORIDA (US) 1997-06-10 US disclosed
US-5618826-A Anticholinergic compounds, compositions and methods of treatment UNIVERSITY OF FLORIDA (US) 1997-04-08 US disclosed
EP-0539493-B1 TARGETED DRUG DELIVERY VIA PHOSPHONATE DERIVATIVES BODOR NICHOLAS S (US) 1997-03-26 EP disclosed
US-5610188-A MYDRIATICS, ANTIPERSPIRANTS UNIVERSITY OF FLORIDA (US) 1997-03-11 US disclosed
EP-0577725-A4 TARGETED DRUG DELIVERY VIA MIXED PHOSPHATE DERIVATIVES UNIV FLORIDA (US) 1996-04-17 EP disclosed
US-5418244-A Antiperspirants, mydriatic UNIVERSITY OF FLORIDA (US) 1995-05-23 US disclosed
US-5413996-A Delivery of steroid sex hormone or antiinflammatory steroid to the brain UNIVERSITY OF FLORIDA (US) 1995-05-09 US disclosed
EP-0577725-A1 TARGETED DRUG DELIVERY VIA MIXED PHOSPHATE DERIVATIVES UNIVERSITY OF FLORIDA (US) 1994-01-12 EP disclosed
US-5177064-A TARGETED DRUG DELIVERY VIA PHOSPHONATE DERIVATIVES UNIVERSITY OF FLORIDA (US) 1993-01-05 US disclosed
WO-1992017185-A1 TARGETED DRUG DELIVERY VIA MIXED PHOSPHATE DERIVATIVES UNIVERSITY OF FLORIDA (US) 1992-10-15 WO disclosed
WO-1992000988-A1 TARGETED DRUG DELIVERY VIA PHOSPHONATE DERIVATIVES BODOR NICHOLAS S (US) 1992-01-23 WO disclosed
US-5079366-A To derivatize pharmaceutical peptides for transport across the blood/brain barrier UNIVERSITY OF FLORIDA (US) 1992-01-07 US disclosed
EP-0174956-B1 SOFT $g(b)-ADRENERGIC BLOCKING AGENTS BODOR, Nicholas S. (US) 1990-08-16 EP disclosed
US-4888427-A DIHYDROPYRIDINE-PYRIDINIUM SALT REDOX SYSTEM UNIVERSITY OF FLORIDA (US) 1989-12-19 US disclosed
EP-0293071-A1 Redox amino acids and peptides containing them UNIVERSITY OF FLORIDA (US) 1988-11-30 EP disclosed
EP-0174956-A1 SOFT -g(b)-ADRENERGIC BLOCKING AGENTS. BODOR NICHOLAS S 1986-03-26 EP disclosed
WO-1985004168-A1 SOFT beta-ADRENERGIC BLOCKING AGENTS BODOR NICHOLAS S 1985-09-26 WO disclosed
US-4296129-A ANTIAASTHMATIC INHIBITOR OF SLOW-REACTING SUBSTANCE OF ANAPHYLAXIS PFIZER, INC. (US) 1981-10-20 US disclosed