SCHEMBL1123395

SCHEMBL1123395

O=C(O)CCN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.51
LPAR1 Q92633 5/20 0.48
PPARG P37231 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
KMT2A Q03164 1/20 0.44
MEP1B Q16820 1/20 0.43
NR4A2 P43354 1/20 0.43
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42

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
SCHEMBL1123247 0.91 SLC2A1 (0.47) F10LPAR1PPARGSMPD1HDAC1
SCHEMBL1123394 0.90 KMT2A (0.52) F10PPARGSMPD1KMT2ANR4A2
SCHEMBL1122385 0.90 PPARG (0.47) F10LPAR1PPARGHDAC1HDAC6
SCHEMBL1122912 0.89 LPAR1 (0.49) F10LPAR1PPARGKMT2AMEP1B
SCHEMBL1123557 0.89 PTGES (0.52) F10PPARGSMPD1KMT2ANR4A2
SCHEMBL1123593 0.88 NR4A1 (0.48) F10LPAR1PPARGHDAC1HDAC6
SCHEMBL1123465 0.84 SLC2A1 (0.51) F10LPAR1PPARGHDAC1HDAC6
SCHEMBL1122881 0.84 LPAR1 (0.45) F10LPAR1PPARGHDAC1HDAC6
SCHEMBL1122952 0.83 LPAR1 (0.53) LPAR1HDAC1HDAC6
SCHEMBL1122949 0.83 FFAR1 (0.52) PPARGPTGESALOX5LTC4S

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed