SCHEMBL7614028

SCHEMBL7614028

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
FDPS P14324 2/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7614051 0.88 HDAC3 (0.55) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL7619962 0.82 HDAC1 (0.45) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL8464683 0.80 KDM4E (0.40) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5169003 0.76 ALDH1A1 (0.74) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL5167895 0.76 ALDH1A1 (0.74) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL7619994 0.75 PPARA (0.55) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8916429 0.75 FDPS (0.55) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL8918695 0.75 FDPS (0.55) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL9055740 0.75 HSD17B10 (0.36) ALDH1A1TDP1FFAR1KMT2ACYP2C9
SCHEMBL9465550 0.75 HDAC1 (0.49) ALDH1A1HDAC1HDAC2HDAC3HDAC4

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