SCHEMBL43676

SCHEMBL43676

O=[C]CCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.58
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
PKM P14618 2/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA7 P36544 2/20 0.48
CHRNA4 P43681 2/20 0.48
HTR1B P28222 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL96853 0.89 KCNA3 (0.62) KCNA3TAAR1ALDH1A1RECQLPKM
SCHEMBL7363050 0.88 KCNA3 (0.50) KCNA3TAAR1ALDH1A1RECQLPKM
SCHEMBL96601 0.87 KCNA3 (0.67) KCNA3TAAR1ALDH1A1RECQLPKM
SCHEMBL96054 0.85 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL11578031 0.85 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL11617118 0.85 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL7500084 0.85 KCNA3 (0.64) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL5254176 0.83 LTA4H (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2068241 0.79 KCNA3 (0.61) KCNA3TAAR1ALDH1A1RECQLPKM
SCHEMBL98739 0.78 KDM4E (0.44) ALDH1A1CHRNA7DRD2DRD4DRD3

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 1280 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN claimed
US-7375081-B2 Therapeutic combination of a pneumocandin derivative and an antifungal agent ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed
US-6875740-B1 Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-05 US claimed
EP-0758341-B1 FACTOR Xa INHIBITORS AVENTIS PHARMA INC (US) 2004-03-24 EP claimed
WO-2000010976-A1 SUBSTITUTED N-ARYL-PHTHALIMIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO claimed
US-5633261-A ANTITUMOR AGENTS TORONTO RESEARCH CHEMICALS, INC. (CA) 1997-05-27 US claimed
EP-0613478-A1 IMMUNOSTIMULATING SWAINSONINE ANALOGS TORONTO RESEARCH CHEMICALS INC. (CA) 1994-09-07 EP claimed
WO-1993009117-A1 IMMUNOSTIMULATING SWAINSONINE ANALOGS TORONTO RESEARCH CHEMICALS INC. (CA) 1993-05-13 WO claimed
US-5047397-A Natriuretics, diuretics, vasodilators CALIFORNIA BIOTECHNOLOGY INC. (US) 1991-09-10 US claimed
EP-0410989-A4 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES 1991-06-05 EP claimed
WO-1989009611-A1 CYCLIC ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY INC. (US) 1989-10-19 WO claimed
EP-0323740-A2 Linear analogs of atrial natriuretic peptides CALIFORNIA BIOTECHNOLOGY, INC. (US) 1989-07-12 EP claimed
WO-1989005654-A1 LINEAR ANALOGS OF ATRIAL NATRIURETIC PEPTIDES CALIFORNIA BIOTECHNOLOGY INC. (US) 1989-06-29 WO claimed
EP-0241864-A2 Process for the preparation of addition compounds of dipeptides and of free peptides thereof HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-21 EP claimed
US-4438136-A INHIBITION OF THROMBOXANE ACTIVITY NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-20 US claimed
EP-0013608-B1 SUBSTITUTED BICYCLO (2,2,1)HEPTANES AND HEPT-2-ENES AND THEIR PHARMACEUTICAL COMPOSITIONS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1983-06-15 EP claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
EP-0003584-B1 PHENOXYPROPANOIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-01-21 EP claimed
US-4070458-A MICRBIAL ENZYME SANRAKU-OCEAN CO., LTD. (JA) 1978-01-24 US claimed
US-4055468-A TETRAPEPTIDE SANRAKU-OCEAN CO., LTD. (JA) 1977-10-25 US claimed