SCHEMBL8826041

SCHEMBL8826041

CCCN(Cc1ccc(COc2ccccc2)cc1)C(=O)C1C(C(=O)O)C(C(=O)N(CCC)Cc2ccc(COc3ccccc3)cc2)C1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
BCHE P06276 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8497848 1.00 ALOX5 (0.53) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL8497846 1.00 ALOX5 (0.53) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL8826036 1.00 ALOX5 (0.53) ALOX5PTGS1PTGS2MEN1KMT2A
SCHEMBL8493801 0.88 LPAR1 (0.51)
SCHEMBL4959388 0.88 LPAR1 (0.51)
SCHEMBL8825946 0.88 LPAR1 (0.51)
SCHEMBL8493183 0.88 LPAR1 (0.51)
SCHEMBL9255423 0.88 LPAR1 (0.51)
SCHEMBL8493909 0.88 LPAR1 (0.51)
SCHEMBL8825925 0.88 LPAR1 (0.51)

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
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 WO claimed
US-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 US disclosed
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 WO disclosed