SCHEMBL7619962

SCHEMBL7619962

CCOC(=O)C(Cl)(Cl)CCCCCCCCCCCCSc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HPGD P15428 2/20 0.40

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
SCHEMBL8467642 0.88 HDAC3 (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7614028 0.82 ALDH1A1 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9058482 0.78 CYP4F2 (0.45) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL7621010 0.78 SMN1; SMN2 (0.44) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7620221 0.78 SMN1; SMN2 (0.44) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5428506 0.77 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9057514 0.77 CYP4F2 (0.44) ALDH1A1MAPTKDM4EGAAKMT2A
SCHEMBL7364397 0.76 HDAC1 (0.57) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7620372 0.75 ATM (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7623872 0.74 PIN1 (0.39) ALDH1A1SMN1; SMN2MAPTPIN1KMT2A

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-0790824-B1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE ROCHE DIAGNOSTICS GMBH (DE) 2002-02-06 EP disclosed
US-5968982-A TREATMENT OF DIABETES ROCHE DIAGNOSTICS GMBH (DE) 1999-10-19 US disclosed
EP-0790824-A1 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE Roche Diagnostics GmbH (DE) 1997-08-27 EP disclosed
WO-1996015784-A2 2,2-DICHLOROALKANE CARBOXYLIC ACIDS, PROCESS FOR PREPARING THE SAME, MEDICAMENT CONTAINING THE SAME, AND USE THEREOF FOR TREATING INSULIN RESISTANCE BOEHRINGER MANNHEIM GMBH (DE) 1996-05-30 WO disclosed