SCHEMBL10465600

SCHEMBL10465600

O=C(O)C(O)c1cccc2c1CC(NS(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.47
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
HDAC8 Q9BY41 6/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PTGDR Q13258 3/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ABCB11 O95342 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL10465520 0.91 TBXA2R (0.58) TBXA2RPSEN1PSEN2APH1BNCSTN
SCHEMBL10462980 0.91 TBXA2R (0.54) TBXA2RPSEN1PSEN2APH1BNCSTN
SCHEMBL10464736 0.87 TBXA2R (0.44) TBXA2RPTGDRPTGDR2MEN1KMT2A
SCHEMBL10464046 0.83 TBXA2R (0.67) TBXA2RPSEN1PSEN2APH1BNCSTN
SCHEMBL10464527 0.83 TBXA2R (0.53) TBXA2RPSEN1PSEN2APH1BNCSTN
SCHEMBL10464515 0.83 TBXA2R (0.53) TBXA2RPSEN1PSEN2APH1BNCSTN
SCHEMBL10690261 0.82 PSEN1 (0.49) TBXA2RPSEN1PSEN2APH1BNCSTN
SCHEMBL10357320 0.81 CA1 (0.52) TBXA2RPSEN1PSEN2APH1BNCSTN
SCHEMBL10463083 0.80 TBXA2R (0.51) TBXA2RHDAC8CA1CA2MEN1
SCHEMBL10465047 0.80 TBXA2R (0.51) TBXA2RCA1CA2MEN1KMT2A

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-4921998-A ANTICOAGULANTS, ANTIISCHEMIC AGENTS, ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
US-4868331-A ANTICOAGULANTS, ANTIATHEROSCLEROTIC, ANTIISCHEMIC BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed