SCHEMBL2123805

SCHEMBL2123805

CCC(C=O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LTA4H P09960 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA4 P22748 1/20 0.34
ALDH1A3 P47895 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8888661 0.82 ALDH1A3 (0.37) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL25241634 0.82 CTSK (0.41) TSHRPPARGPPARALTA4H
SCHEMBL1454473 0.82 MEN1 (0.38) MTNR1AMTNR1BTSHRALDH1A1MAPT
SCHEMBL8889734 0.81 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ASLC6A4
SCHEMBL8889822 0.81 LDHA (0.43) ALDH1A1MAPTMEN1KMT2ASLC6A4
SCHEMBL7979777 0.81 LDHA (0.43) ALDH1A1MAPTMEN1KMT2ASLC6A4
SCHEMBL10335398 0.81 ALDH1A3 (0.32) ALDH1A3
SCHEMBL19312195 0.81 CA4 (0.37) MTNR1AMTNR1BTSHRMAPTMEN1
SCHEMBL12318700 0.81 ALDH1A3 (0.58) ALDH1A1MAPTMEN1KMT2AALDH1A3
SCHEMBL14440810 0.80 LMNA (0.46) MAPTKMT2AL3MBTL1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254797-B1 2-HYDROXYETHYL-AZOLE DERIVATIVES BAYER AG (DE) 1990-07-04 EP claimed
EP-0254797-A1 2-Hydroxyethyl-azole derivatives BAYER AG (DE) 1988-02-03 EP claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US claimed
US-3966720-A Process for producing desacetoxy cephalosporanic acid compound NIKKEN CHEMICALS CO., LTD. (JA) 1976-06-29 US claimed
JP-2256639-A None JP disclosed
WO-2018055124-A1 FAST-DISSOLVING PERFUME-CONTAINING SOLUBLE BODY HENKEL AG & CO. KGAA (DE) 2018-03-29 WO disclosed
US-20140178606-A1 CELLULOSE ACYLATE FILM, POLARIZER, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2014-06-26 US disclosed
US-8477275-B2 Optical film and liquid crystal display device FUJIFILM CORPORATION (JP) 2013-07-02 US disclosed
US-20130128359-A1 OPTICAL FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY APPARATUS FUJIFILM CORPORATION (JP) 2013-05-23 US disclosed
US-8420187-B2 Cellulose acylate composition, cellulose acylate film, and its applications FUJIFILM CORPORATION (JP) 2013-04-16 US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 US disclosed
US-4011214-A 3-(MORPHOLINOALKOXYIMINOMETHYL)CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-08 US disclosed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US disclosed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US disclosed
US-3984403-A PAINLESS INTRAMUSCULAR INJECTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US disclosed
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US disclosed
US-3932393-A 3-Methylenecephalosporins and process for production thereof ELI LILLY AND COMPANY (US) 1976-01-13 US disclosed