SCHEMBL11054572

SCHEMBL11054572

C=CC(=O)OCCCCC(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.55
HDAC6 Q9UBN7 12/20 0.55
HDAC2 Q92769 12/20 0.55
HDAC4 P56524 11/20 0.55
HDAC1 Q13547 11/20 0.55
HDAC7 Q8WUI4 11/20 0.55
HDAC11 Q96DB2 11/20 0.55
HDAC9 Q9UKV0 11/20 0.55
HDAC5 Q9UQL6 11/20 0.55
HDAC3 O15379 10/20 0.55
HDAC10 Q969S8 10/20 0.55
CYP3A4 P08684 3/20 0.55
KDM4E B2RXH2 1/20 0.55
BRD4 O60885 1/20 0.55
NCOR1 O75376 1/20 0.55
NR1I2 O75469 1/20 0.55
EGFR P00533 1/20 0.55
LTA4H P09960 1/20 0.55
NR0B1 P51843 1/20 0.55
PLK1 P53350 1/20 0.55

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
SCHEMBL29315958 0.91 HDAC1 (0.61) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL29315960 0.91 HDAC1 (0.61) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL11668555 0.90 CYP3A4 (0.58) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL29315479 0.82 SOAT1 (0.60) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL11060784 0.82 HDAC3 (0.56) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL29315954 0.82 HDAC1 (0.52) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL29315481 0.81 SOAT1 (0.62) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL29315483 0.81 SOAT1 (0.62) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL28519073 0.81 HDAC4 (0.59) HDAC8HDAC6HDAC2HDAC4HDAC1
SCHEMBL10696249 0.80 MEN1 (0.58) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4424100-A MONOUNSATURATED AND POLYUNSATURATED COMPOUNDS MOBIL OIL CORPORATION (US) 1984-01-03 US disclosed
US-4125503-A Ultraviolet curing emulsion systems MOBIL OIL CORPORATION (US) 1978-11-14 US disclosed
US-4072592-A ADDUCT OF ACRYLIC ACID AND EPOXY RESIN MOBIL OIL CORPORATION (US) 1978-02-07 US disclosed