SCHEMBL11322786

SCHEMBL11322786

N#CCCOCCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 2/20 0.43
HTR1B P28222 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL38671 0.88 KCNA3 (0.58) KCNA3GAAALDH1A1TAAR1RECQL
SCHEMBL148066 0.83 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLKDM4E
SCHEMBL466750 0.83 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLKDM4E
SCHEMBL11087417 0.83 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLKDM4E
SCHEMBL5067163 0.83 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLKDM4E
SCHEMBL2481801 0.83 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLKDM4E
SCHEMBL10452423 0.83 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLKDM4E
SCHEMBL7501215 0.82 KCNA3 (0.62) KCNA3GAAALDH1A1TAAR1RECQL
SCHEMBL7363050 0.81 KCNA3 (0.50) KCNA3ALDH1A1TAAR1RECQLKDM4E
SCHEMBL11263057 0.81 LTA4H (0.58) KCNA3GAAALDH1A1TAAR1RECQL

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
US-4297103-A Process for the continuous one-bath dyeing of pile fabrics made of polyacrylonitrile/cotton BAYER AKTIENGESELLSCHAFT (DE) 1981-10-27 US claimed
EP-1306365-B1 Cobalt supported catalysts for hydrogenation of nitriles BASF SE (DE) 2008-10-22 EP disclosed
US-4297103-A Process for the continuous one-bath dyeing of pile fabrics made of polyacrylonitrile/cotton BAYER AKTIENGESELLSCHAFT (DE) 1981-10-27 US disclosed
US-3936477-A Blue anthraquinoid disperse dyes, their production and use BASF AKTIENGESELLSCHAFT (DT) 1976-02-03 US disclosed