SCHEMBL8580528

SCHEMBL8580528

C=C(C(=O)O)c1ccc2c(c1)c(Cc1cccnc1)cn2CCC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.51
HDAC3 O15379 5/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC4 P56524 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
CNR2 P34972 2/20 0.38
LTA4H P09960 1/20 0.37
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.36

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
SCHEMBL8544039 0.84 TBXAS1 (0.52) TBXAS1HDAC3HDAC1HDAC8HDAC6
SCHEMBL8544402 0.84 TBXAS1 (0.56) TBXAS1
SCHEMBL8538159 0.82 TBXAS1 (0.50) TBXAS1HDAC3HDAC1CNR2LTA4H
SCHEMBL8583670 0.81 PTGDR2 (0.53) TBXAS1CNR2LTA4HKDM4E
SCHEMBL8544233 0.81 TBXAS1 (0.50) TBXAS1HDAC3HDAC1HDAC8HDAC6
SCHEMBL8544230 0.81 TBXAS1 (0.50) TBXAS1HDAC3HDAC1HDAC8HDAC6
SCHEMBL8543283 0.81 TBXAS1 (0.51) TBXAS1CNR2CNR1KDM4ECYP11B1
SCHEMBL8582873 0.81 TRPM5 (0.41) TBXAS1HDAC3CNR2LTA4HCNR1
Trifluoroacetic Acid SCHEMBL9221603 0.80 TBXAS1 (0.55) TBXAS1
SCHEMBL8544258 0.79 TBXAS1 (0.47) TBXAS1HDAC3HDAC1CNR2LTA4H

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-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US disclosed