SCHEMBL9580778

SCHEMBL9580778

[CH2]COCCOCCOCCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 2/20 0.47
THRB P10828 1/20 0.46
HTR1B P28222 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL7844150 1.00 KCNA3 (0.56) KCNA3TAAR1ALDH1A1RECQLKDM4E
SCHEMBL33387 0.98 KCNA3 (0.58) KCNA3TAAR1ALDH1A1RECQLKDM4E
SCHEMBL10452423 0.89 KCNA3 (0.70) KCNA3TAAR1ALDH1A1RECQLKDM4E
SCHEMBL466750 0.89 KCNA3 (0.70) KCNA3TAAR1ALDH1A1RECQLKDM4E
SCHEMBL2481801 0.89 KCNA3 (0.70) KCNA3TAAR1ALDH1A1RECQLKDM4E
SCHEMBL5067163 0.89 KCNA3 (0.70) KCNA3TAAR1ALDH1A1RECQLKDM4E
SCHEMBL11087417 0.89 KCNA3 (0.70) KCNA3TAAR1ALDH1A1RECQLKDM4E
SCHEMBL148066 0.89 KCNA3 (0.70) KCNA3TAAR1ALDH1A1RECQLKDM4E
SCHEMBL21496339 0.88 ALDH1A1 (0.52) KCNA3ALDH1A1RECQLKDM4EMAPK1
SCHEMBL4845429 0.87 KCNA3 (0.62) KCNA3TAAR1ALDH1A1RECQLHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225636-A1 MODIFIED STYRENE-BUTADIENE COPOLYMER, METHOD FOR PREPARING SAME, AND RUBBER COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2017-10-04 EP claimed
US-5180792-A AMINE-CURED EPOXY RESIN WITH PHENOXYETHYL (METH) ACRYLATES KOEI CHEMICAL CO., LTD. (JP) 1993-01-19 US claimed
EP-3225636-B1 MODIFIED STYRENE-BUTADIENE COPOLYMER, METHOD FOR PREPARING SAME, AND RUBBER COMPOSITION INCLUDING THE SAME LG CHEMICAL LTD (KR) 2019-07-31 EP disclosed
US-5180792-A AMINE-CURED EPOXY RESIN WITH PHENOXYETHYL (METH) ACRYLATES KOEI CHEMICAL CO., LTD. (JP) 1993-01-19 US disclosed