SCHEMBL9080146

SCHEMBL9080146

O=S(=O)(OCCCOc1ccccc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
MGLL Q99685 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL18889128 0.91 KCNA3 (0.48) KCNA3HDAC1HDAC2CA1CA2
SCHEMBL16478997 0.84 KDM4E (0.50) HDAC1CA1CA2DRD3ALDH1A1
SCHEMBL576009 0.80 CA2 (0.44) CA1CA2ALDH1A1
SCHEMBL4625553 0.79 CA2 (0.55) CA1CA2RECQL
SCHEMBL8552660 0.79 KCNA3 (0.52) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL4543170 0.78 CA2 (0.46) CA1CA2MGLL
SCHEMBL4741970 0.78 KCNA3 (0.56) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9451478 0.78 CA1 (0.56) KCNA3CA1CA2TAAR1
SCHEMBL8007555 0.77 CA2 (0.54) CA1CA2MGLL
SCHEMBL21068846 0.77 CA2 (0.45) CA1CA2MGLLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737195-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-10-16 EP disclosed
US-5541183-A RESPIRATORY SYSTEM DISORDERS, SKIN DISORDERS AND PLATELET ACTIVATING FACTOR ANTAGONIST SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-07-30 US disclosed
WO-1995018131-A1 NEW GINKGOLIDE DERIVATIVES AND A PROCESS FOR PREPARING THEM SUNKYONG INDUSTRIES CO., LTD. (KR) 1995-07-06 WO disclosed