SCHEMBL8839263

SCHEMBL8839263

O=C(O)C(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.73
CYP1A2 P05177 2/20 0.55
CA1 P00915 4/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
TSHR P16473 1/20 0.54
FOLH1 Q04609 2/20 0.51
TACR1 P25103 2/20 0.49
CPA1 P15085 2/20 0.48
CPA3 P15088 2/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 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
SCHEMBL27816147 0.91 SLC1A1 (0.67) SLC1A1CYP1A2CA1CA2CA7
SCHEMBL27816149 0.91 SLC1A1 (0.67) SLC1A1CYP1A2CA1CA2CA7
SCHEMBL7267044 0.91 SLC1A1 (0.67) SLC1A1CYP1A2CA1CA2CA7
SCHEMBL28294483 0.91 SLC1A1 (0.67) SLC1A1CYP1A2CA1CA2CA7
SCHEMBL27427221 0.90 SLC1A1 (0.61) SLC1A1CYP1A2CA1CA2CA7
SCHEMBL16000772 0.89 SLC1A1 (0.65) SLC1A1CYP1A2CA1CA2CA7
SCHEMBL16898388 0.88 SLC1A1 (0.63) SLC1A1CYP1A2CA1CA2CA7
SCHEMBL16898390 0.88 SLC1A1 (0.63) SLC1A1CYP1A2CA1CA2CA7
SCHEMBL17884784 0.86 SLC1A1 (0.61) SLC1A1CYP1A2CA1CA2CA7
SCHEMBL5941636 0.86 SLC1A1 (0.61) SLC1A1CYP1A2CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650428-A THROMBOXANE A2 ANTAGONISM NKK CORPORATION (JP) 1997-07-22 US disclosed
CN-1111453-A Aryl sulfonamide derivatives and pharmaceutical compositions containing the same NIPPON KOKAN KK (JP) 1995-11-08 CN disclosed