SCHEMBL8894976

SCHEMBL8894976

COC(=O)CCCCc1ccc(CC2(NS(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.42
TBXAS1 P24557 2/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8896977 0.99 TBXA2R (0.41) TBXA2RTBXAS1HDAC3HDAC4HDAC1
SCHEMBL8895764 0.97 TBXA2R (0.42) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL8895561 0.96 TBXAS1 (0.42) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL8897202 0.96 TBXAS1 (0.42) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL8896692 0.93 TBXA2R (0.43) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL8896800 0.93 IDO1 (0.46) TBXA2RTBXAS1ALDH1A1KDM4EMMP1
SCHEMBL8895621 0.92 IDO1 (0.45) TBXA2RTBXAS1ALDH1A1KDM4EMMP1
SCHEMBL8894937 0.89 TBXA2R (0.45) TBXA2RTBXAS1HDAC3HDAC4HDAC1
SCHEMBL8897644 0.88 GAA (0.41) ALDH1A1MMP1MMP13
SCHEMBL8895594 0.88 TBXA2R (0.44) TBXA2RTBXAS1HDAC3HDAC4HDAC1

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-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed