SCHEMBL7763386

SCHEMBL7763386

O=C(CCCCCCCCCc1ccccc1)NCc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.86
KMT2A Q03164 1/20 0.86
TRPV1 Q8NER1 4/20 0.78
GAA P10253 1/20 0.77
EPHX2 P34913 2/20 0.73
LMNA P02545 1/20 0.72
HDAC1 Q13547 2/20 0.70
HDAC2 Q92769 2/20 0.70
ALOX5 P09917 1/20 0.70
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.62

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
SCHEMBL9080237 0.98 MEN1 (0.83) MEN1KMT2ATRPV1GAAEPHX2
SCHEMBL3435489 0.93 TRPV1 (0.84) MEN1KMT2ATRPV1GAAEPHX2
SCHEMBL2942358 0.91 MEN1 (0.96) MEN1KMT2ATRPV1GAAEPHX2
SCHEMBL8697144 0.91 TRPV1 (0.71) MEN1KMT2ATRPV1GAAEPHX2
SCHEMBL6821871 0.89 TRPV1 (0.69) MEN1KMT2ATRPV1GAAEPHX2
SCHEMBL27909119 0.88 MEN1 (0.89) MEN1KMT2ATRPV1GAAEPHX2
SCHEMBL14254953 0.88 MEN1 (0.89) MEN1KMT2ATRPV1GAAEPHX2
SCHEMBL23327916 0.86 MEN1 (0.86) MEN1KMT2ATRPV1GAAEPHX2
SCHEMBL8082660 0.86 MEN1 (0.86) MEN1KMT2ATRPV1GAAEPHX2
SCHEMBL27909131 0.86 MEN1 (0.86) MEN1KMT2ATRPV1GAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821665-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 2001-10-04 EP disclosed
EP-1090908-A2 Cyclobutane derivatives as inhibitors of protein farnesyltransferase ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
US-5831115-A CYCLOBUTANECARBOXAMIDES ABBOTT LABORATORIES (US) 1998-11-03 US disclosed
EP-0821665-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1998-02-04 EP disclosed
WO-1996033159-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-10-24 WO disclosed