SCHEMBL657551

SCHEMBL657551

CCCCC(CC)CC(OC(=O)CCCCC(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CA2 P00918 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.40
PRSS1 P07477 1/20 0.39

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
SCHEMBL660352 0.99 CYP3A4 (0.44) CYP3A4TSHRATMTDP1HDAC3
SCHEMBL659563 0.99 CYP3A4 (0.44) CYP3A4TSHRATMTDP1HDAC3
SCHEMBL7148846 0.87 MEN1 (0.43) TSHRTDP1HDAC11ALDH1A1KDM4E
SCHEMBL4392102 0.86 CYSLTR2 (0.44) TSHRTDP1HDAC11ALDH1A1LMNA
SCHEMBL30256707 0.84 KDM4E (0.43) TSHRKDM4EMEN1RECQLKMT2A
Acetic Acid SCHEMBL28067116 0.82 ALDH1A1 (0.47) CYP3A4HDAC3HDAC4HDAC1HDAC7
SCHEMBL9419401 0.82 FFAR4 (0.49) TSHRTDP1HDAC11ALDH1A1LMNA
SCHEMBL31069914 0.80 POLB (0.43) KDM4EMEN1RECQLKMT2APOLB
SCHEMBL5066357 0.80 LMNA (0.49) ALDH1A1KDM4ELMNAMEN1RECQL
SCHEMBL6668951 0.79 LMNA (0.51) ALDH1A1KDM4ELMNAMEN1RECQL

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-20120046402-A1 POLY LACTIC ACID-CONTAINING FILM OR SHEET, AND METHOD FOR MANUFACTURING THEREOF NITTO DENKO CORPORATION (JP) 2012-02-23 US disclosed