SCHEMBL9718385

SCHEMBL9718385

COC(=O)CCC(=O)c1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
AKR1C3 P42330 1/20 0.53
USP2 O75604 1/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 1/20 0.51
TBXA2R P21731 3/20 0.50
TBXAS1 P24557 3/20 0.50
RAB9A P51151 1/20 0.49
PPARG P37231 1/20 0.48

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
SCHEMBL10463166 0.91 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL9718429 0.89 TBXA2R (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2AKR1C3
SCHEMBL9718387 0.89 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9660574 0.88 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL10463248 0.83 ALDH1A1 (0.64) ALDH1A1KMT2ALMNASMN1; SMN2AKR1C3
SCHEMBL10461125 0.83 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL7400490 0.83 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL9718367 0.82 TBXAS1 (0.58) TBXA2RTBXAS1
SCHEMBL10463160 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL10461761 0.82 TBXA2R (0.56) ALDH1A1MEN1KMT2ALMNAAKR1C3

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-0260527-B1 SYNERGETIC COMBINATION COMPRISING A PHOSPHODIESTERASE INHIBITOR AND A THROMBOXAN-A2-ANTAGONIST, AND THEIR USE OR MANUFACTURE Dr. Karl Thomae GmbH (DE) 1992-04-01 EP disclosed
EP-0260527-A2 Synergetic combination comprising a phosphodiesterase inhibitor and a thromboxan-A2-antagonist, and their use or manufacture Dr. Karl Thomae GmbH (DE) 1988-03-23 EP disclosed
EP-0194548-A2 Sulfonylaminoethyl compounds, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-09-17 EP disclosed