SCHEMBL9763095

SCHEMBL9763095

OC(CCCOc1ccccc1)CCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.58
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL25236734 0.91 DRD4 (0.57) KCNA3ALDH1A1RECQLTDP1HDAC6
SCHEMBL15178102 0.87 TDP1 (0.55) KCNA3ALDH1A1RECQLTDP1DRD2
SCHEMBL12271852 0.86 KCNA3 (0.56) KCNA3ALDH1A1RECQLTDP1HDAC3
SCHEMBL8745736 0.86 LTA4H (0.56) KCNA3ALDH1A1TDP1DRD2DRD3
SCHEMBL11874214 0.86 LTA4H (0.56) KCNA3ALDH1A1TDP1DRD2DRD3
SCHEMBL15178327 0.85 TDP1 (0.57) KCNA3ALDH1A1RECQLTDP1LMNA
SCHEMBL14445477 0.84 ALDH1A1 (0.57) KCNA3ALDH1A1RECQLTDP1HDAC3
SCHEMBL12980169 0.84 ALDH1A1 (0.57) KCNA3ALDH1A1RECQLTDP1HDAC3
SCHEMBL3947804 0.82 ALDH1A1 (0.50) KCNA3ALDH1A1RECQLTDP1HDAC3
SCHEMBL11253522 0.82 CHRNB2 (0.52) KCNA3ALDH1A1RECQLTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064929-A Tough, transparent optical films MOBAY CORPORATION (US) 1991-11-12 US disclosed