SCHEMBL8825972

SCHEMBL8825972

CN(Cc1ccc(Oc2ccc(F)cc2)cc1)C(=O)C1C(C(=O)O)C(C(=O)N(C)Cc2ccc(Oc3ccc(F)cc3)cc2)C1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
RIPK1 Q13546 1/20 0.45
LTA4H P09960 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
SCHEMBL8496461 1.00 TDP1 (0.46) TDP1KMT2AALDH1A1LMNAMAPT
SCHEMBL8825968 1.00 TDP1 (0.46) TDP1KMT2AALDH1A1LMNAMAPT
SCHEMBL8496467 1.00 TDP1 (0.46) TDP1KMT2AALDH1A1LMNAMAPT
SCHEMBL8826219 0.89 MEN1 (0.53) KMT2AMEN1
SCHEMBL8498369 0.89 MEN1 (0.53) KMT2AMEN1
SCHEMBL8826226 0.89 MEN1 (0.53) KMT2AMEN1
SCHEMBL8498367 0.89 MEN1 (0.53) KMT2AMEN1
SCHEMBL8826030 0.88 KMT2A (0.46) KMT2A
SCHEMBL8493612 0.88 KMT2A (0.46) KMT2A
SCHEMBL8493610 0.88 KMT2A (0.46) KMT2A

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-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 US disclosed