SCHEMBL6624495

SCHEMBL6624495

CC(C)(C)c1ccc(S(=O)(=O)NCCC2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 1/20 0.46
ACHE P22303 1/20 0.43
GAA P10253 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL23052369 0.87 KMT2A (0.62) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL6626965 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL6624619 0.82 SIGMAR1 (0.57) ALDH1A1SMN1; SMN2HTTHDAC3KMT2A
SCHEMBL5649817 0.82 KMT2A (0.52) ALDH1A1SMN1; SMN2HTTLMNAKMT2A
SCHEMBL8397048 0.82 GBA1 (0.58) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL8391910 0.82 GBA1 (0.58) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL6624376 0.82 USP2 (0.62) ALDH1A1SMN1; SMN2HTTKMT2AUSP2
SCHEMBL8393373 0.80 GBA1 (0.60) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL29183287 0.80 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL12169387 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed