SCHEMBL7534154

SCHEMBL7534154

Oc1cccc(OOCC(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
APP P05067 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CA12 O43570 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ENPP2 Q13822 1/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
ADRB3 P13945 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL2729700 0.81 CHRNB2 (0.51) CYP3A4APPCHRNB2CHRNA4CHRNB4
SCHEMBL8716014 0.77 CYP3A4 (0.58) CYP3A4APPCHRNB2CHRNA4CA12
SCHEMBL27530842 0.77 CYP3A4 (0.48) CYP3A4APPCHRNB2CHRNA4CA12
SCHEMBL28920653 0.76 HTR1A (0.40) CYP3A4ALDH1A1LMNADRD2DRD4
SCHEMBL28610175 0.76 HTR1A (0.40) CYP3A4ALDH1A1LMNADRD2DRD4
SCHEMBL27488691 0.74 DRD2 (0.50) CYP3A4APPALDH1A1LMNAENPP2
Resorcinol SCHEMBL3453724 0.74 LMNA (0.55) CYP3A4CA12ALDH1A1CA2LMNA
SCHEMBL7396426 0.71 SMN1; SMN2 (0.53) APPCHRNB2CHRNA4ADRB3
SCHEMBL2859448 0.71 CYP3A4 (0.50) CYP3A4APPCHRNB2CHRNA4CA12
SCHEMBL21393012 0.71 CYP3A4 (0.57) CYP3A4APPCHRNB2CHRNA4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646453-B1 Polyester bottle and method of removing adsorbates on the bottle MITSUI CHEMICALS INC (JP) 1999-12-08 EP claimed
US-5972446-A REFILLABLE POLYESTER STRETCHED BOTTLE CAPABLE OF DESORBING ADSORBATES FROM SURFACES THEREOF BY CONTACT WITH WATER OR WATER VAPOR HEATED TO 40 TO 150.DEGREE. C. MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US claimed
US-5658393-A MADE OF SPECIFIC POLYESTERS, CONTAINING POLYETHYLENE NAPHTHALATE AND A COPOLYESTER; DESORPTION BY HOLDING THE BOTTLES IN AIR AT SPECIFIC TEMPERATURE; RECYCLING MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-08-19 US claimed
US-5650204-A CONSISTS OF A BLEND OF POLYETHYLENE TEREPHTHALATE, AND A COPOLYMERIZED POLYESTER; HEAT RESISTANCE, NONADSORPTIVITY, AND HIGH MEAN CRYSTALLINITY; USEFUL AS CONTAINERS FOR JUICES, NATURAL WATER, TEA AND OTHER DRINKS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-07-22 US claimed
US-5641548-A ARTICLE COMPOSED OF COPOLYESTER MADE FROM TEREPHTHALIC ACID, ISOPHTHALIC ACID, ETHYLENE GLYCOL, DIHYDROXYETHOXYRESORCINOL, POLYFUNCTIONAL HYDROXY COMPOUND; EXCELLENT TRANSPARENCY, MOLDABILITY, GAS BARRIER PROPERTIES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-06-24 US claimed
EP-0415728-B1 Process for preparing blow molded articles MITSUI PETROCHEMICAL IND (JP) 1997-01-08 EP claimed
US-5556675-A POLYESTERS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1996-09-17 US claimed
EP-0646453-A1 Polyester bottle and method of removing adsorbates on the bottle MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-04-05 EP claimed
EP-0415728-A2 Process for preparing blow molded articles MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-03-06 EP claimed
JP-3087233-A None JP disclosed
JP-4145137-A None JP disclosed
JP-2187449-A None JP disclosed
JP-3054249-A None JP disclosed
JP-2004852-A None JP disclosed
EP-0415728-A2 Process for preparing blow molded articles MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-03-06 EP disclosed
JP-H02187449-A POLYESTER RESIN COMPOSITION FOR HIGH-DRAW FORMING AND USE THEREOF MITSUI PETROCHEM IND LTD 1990-07-23 JP disclosed
JP-H024852-A POLYESTER RESIN COMPOSITION AND USE THEREOF MITSUI PETROCHEM IND LTD 1990-01-09 JP disclosed
JP-H00387233-A 0001-01-01 JP disclosed
JP-H00354249-A 0001-01-01 JP disclosed
JP-H00387235-A 0001-01-01 JP disclosed