SCHEMBL4338296

SCHEMBL4338296

O=C(O)Oc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.52
CTNNB1 P35222 3/20 0.48
WNT3A P56704 3/20 0.48
HDAC4 P56524 1/20 0.42
SMYD3 Q9H7B4 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ACACB O00763 1/20 0.37
CA2 P00918 2/20 0.37
CA5A P35218 2/20 0.37
RAB9A P51151 2/20 0.37
NOTUM Q6P988 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL22396834 0.90 MRGPRX4 (0.49) MRGPRX4CTNNB1WNT3AKMT2AMEN1
SCHEMBL5280215 0.87 MRGPRX4 (0.44) MRGPRX4CTNNB1WNT3AHDAC4SMYD3
SCHEMBL5283330 0.86 MRGPRX4 (0.49) MRGPRX4CTNNB1WNT3AHDAC4SMYD3
SCHEMBL13222490 0.82 MRGPRX4 (0.46) MRGPRX4CTNNB1WNT3AHDAC4SMYD3
SCHEMBL14941881 0.80 KMT2A (0.47) MRGPRX4CTNNB1WNT3ASMYD3KMT2A
SCHEMBL19555277 0.79 MRGPRX4 (0.59) MRGPRX4CTNNB1WNT3AALDH1A1LMNA
SCHEMBL22396831 0.77 MRGPRX4 (0.47) MRGPRX4CTNNB1WNT3AHDAC4SMYD3
SCHEMBL7030084 0.76 LMNA (0.42) KMT2AMEN1USP2ALDH1A1LMNA
SCHEMBL5278237 0.75 MRGPRX4 (0.44) MRGPRX4CTNNB1WNT3AHDAC4SMYD3
SCHEMBL17973954 0.75 MRGPRX4 (0.41) MRGPRX4CTNNB1WNT3AHDAC4SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727799-B1 NOVEL ALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2009-01-07 EP disclosed
EP-1727812-B1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2008-12-31 EP disclosed
EP-1727798-B1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-10-29 EP disclosed
EP-1595876-B1 Process for the preparation of derivatives of difluorobenzo-(1,3)-dioxole-5-carboxylic acid SALTIGO GMBH (DE) 2007-12-12 EP disclosed
WO-2006072351-A1 HETEROARYL-SUBSTITUITED PYRAZOLINES AS PAR-1 ANTAGONISTS BAYER HEALTHCARE AG (DE) 2006-07-13 WO disclosed
EP-1595876-A1 Process for the preparation of derivatives of difluorobenzo-(1,3)-dioxole-5-carboxylic acid Lanxess Deutschland GmbH (DE) 2005-11-16 EP disclosed
EP-1595876-A1 Process for the preparation of derivatives of difluorobenzo-(1,3)-dioxole-5-carboxylic acid Lanxess Deutschland GmbH (DE) 2005-11-16 EP disclosed
WO-2002012236-A1 SUBSTITUTED TRIAZOLOPYRID(AZ)INES AS PLANT TREATMENT AGENTS (HERBICIDES) BAYER CROPSCIENCE AG (DE) 2002-02-14 WO disclosed