SCHEMBL8749361

SCHEMBL8749361

CCCCCCC1[CH]CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 4/20 0.37
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34
ALOX5 P09917 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GBA1 P04062 3/20 0.33
PPARG P37231 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL9211736 1.00 EPHX1 (0.45) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL9204435 1.00 EPHX1 (0.45) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL9212988 1.00 EPHX1 (0.45) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL9205177 0.98
SCHEMBL14109090 0.90
SCHEMBL27513432 0.89 EPHX1 (0.41) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL9474195 0.89 EPHX1 (0.41) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL9214351 0.89 EPHX1 (0.41) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL4450962 0.89 EPHX1 (0.41) EPHX1ALDH1A1TSHRTHRBCYP1A2
SCHEMBL9950636 0.87 EPHX1 (0.39) EPHX1ALDH1A1TSHRTHRBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375393-A1 Avermectin derivatives MERCK & CO. INC. (US) 1990-06-27 EP claimed
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
US-5618803-A TO BRAIN 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
US-5576332-A Soft β-drenegic blocking agents IVAX International GmbH (CH) 1996-11-19 US disclosed
EP-0577725-A4 TARGETED DRUG DELIVERY VIA MIXED PHOSPHATE DERIVATIVES UNIV FLORIDA (US) 1996-04-17 EP disclosed
US-5482961-A Soft β-adrenergic blocking agents IVAX International GmbH (CH) 1996-01-09 US disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US 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-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP 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
US-4829086-A Soft β-adrenergic blocking agents IVAX International GmbH (CH) 1989-05-09 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