SCHEMBL2700735

SCHEMBL2700735

c1ccc(OCC2CCCO2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PDK1 Q15118 2/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL28659846 0.91 TDP1 (0.71) TDP1SMN1; SMN2MEN1KMT2APDK1
SCHEMBL3250460 0.91 TDP1 (0.71) TDP1SMN1; SMN2MEN1KMT2APDK1
SCHEMBL22776110 0.85 MGLL (0.56) TDP1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13423742 0.84 HTT (0.53) TDP1SMN1; SMN2MEN1KMT2APDK1
SCHEMBL23054249 0.83 RAB9A (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL21051399 0.83 RAB9A (0.58) TDP1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21051390 0.83 RAB9A (0.58) TDP1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL21051391 0.83 RAB9A (0.58) TDP1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1928209 0.83 RAB9A (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL3822145 0.83 TDP1 (0.56) TDP1SMN1; SMN2MEN1KMT2APDK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102453168-B Titanium system catalyst composition as well as preparation method and application thereof, and application of alkyl tetrahydrofurfuryl ether compound in titanium system catalyst CHINA PETROLEUM & CHEMICAL 2014-07-02 CN claimed
US-8604143-B2 Catalysts for polymerization of isoprene and preparations and uses thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2013-12-10 US claimed
CN-102453168-A Titanium catalyst composition, preparation method and application thereof, and application of alkyl tetrahydrofurfuryl ether compound in titanium catalyst CHINA PETROLEUM & CHEMICAL 2012-05-16 CN claimed
US-20120108773-A1 CATALYSTS FOR POLYMERIZATION OF ISOPRENE AND PREPARATIONS AND USES THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2012-05-03 US claimed
US-11693310-B2 Blue curable resin composition, blue color filter, and display device including same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-04 US disclosed
US-20200371435-A1 BLUE CURABLE RESIN COMPOSITION, BLUE COLOR FILTER, AND DISPLAY DEVICE INCLUDING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-11-26 US disclosed
CN-102453168-B Titanium system catalyst composition as well as preparation method and application thereof, and application of alkyl tetrahydrofurfuryl ether compound in titanium system catalyst CHINA PETROLEUM & CHEMICAL 2014-07-02 CN disclosed
US-8604143-B2 Catalysts for polymerization of isoprene and preparations and uses thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2013-12-10 US disclosed
CN-102453168-A Titanium catalyst composition, preparation method and application thereof, and application of alkyl tetrahydrofurfuryl ether compound in titanium catalyst CHINA PETROLEUM & CHEMICAL 2012-05-16 CN disclosed
US-20120108773-A1 CATALYSTS FOR POLYMERIZATION OF ISOPRENE AND PREPARATIONS AND USES THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2012-05-03 US disclosed