SCHEMBL4453039

SCHEMBL4453039

C=CC/C(=C/C)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
HMGB1 P09429 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TSHR P16473 2/20 0.37
LMNA P02545 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
SCHEMBL4453043 1.00 ACHE (0.41) ACHEMEN1KMT2ANPC1CA1
SCHEMBL7574403 0.80 BCHE (0.41) MEN1KMT2ACA1CA9KDM4E
SCHEMBL22411162 0.80 MAPT (0.41) MEN1KMT2ANPC1CA1CA9
SCHEMBL18084165 0.79 NPC1 (0.45) MEN1KMT2ANPC1CA1CA9
SCHEMBL10580663 0.79 NPC1 (0.45) MEN1KMT2ANPC1CA1CA9
SCHEMBL6039096 0.78 HTT (0.39) ACHEKDM4EALDH1A1HPGDTSHR
SCHEMBL11673293 0.78 AKT1 (0.40) ACHEALDH1A1HPGDLMNAMAOA
SCHEMBL11673299 0.78 AKT1 (0.40) ACHEALDH1A1HPGDLMNAMAOA
SCHEMBL1079613 0.76 CYP3A4 (0.41) ACHEMEN1KMT2ANPC1CA1
SCHEMBL5897517 0.76 HPGD (0.49) ACHEMEN1KMT2ANPC1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912538-A1 PROCESS FOR PREPARING 2,3-DIHYDRO-2-METHYL-2-ALKYLBENZOFURAN DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-05-06 EP claimed
WO-1997047615-A1 PROCESS FOR PREPARING 2,3-DIHYDRO-2-METHYL-2-ALKYLBENZOFURAN DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-12-18 WO claimed
JP-9221517-A None JP disclosed
US-8354188-B2 Polymer for lithium ion secondary battery and lithium ion secondary battery using same SANYO ELECTRIC CO., LTD. (JP) 2013-01-15 US disclosed
US-20090246635-A1 Polymer for Lithium Ion Secondary Battery and Lithium Ion Secondary Battery Using Same SUNSTAR GIKEN KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
EP-0912538-A1 PROCESS FOR PREPARING 2,3-DIHYDRO-2-METHYL-2-ALKYLBENZOFURAN DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-05-06 EP disclosed
WO-1997047615-A1 PROCESS FOR PREPARING 2,3-DIHYDRO-2-METHYL-2-ALKYLBENZOFURAN DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-12-18 WO disclosed
JP-H09221517-A DISPERSANT DAI ICHI KOGYO SEIYAKU CO LTD 1997-08-26 JP disclosed
US-5563195-A BLEND OF A MODIFIED POLYOLEFIN AND BLOCKED ISOCYANATE NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1996-10-08 US disclosed
US-5559176-A WATER RESISTANCE NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1996-09-24 US disclosed
US-5534577-A ALKYLENE OXIDE TYPE SURFACTANT, REACTIVE ISOCYANATE, PAINTS, INKS, COATINGS, SEALANTS, ADHESIVES NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-07-09 US disclosed