SCHEMBL11257403

SCHEMBL11257403

CCCCN1C(=O)NC(Cc2ccc(C(=O)OC)cc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
AGTR1 P30556 4/20 0.43
AGTR2 P50052 2/20 0.43
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP4A11 Q02928 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP4F2 P78329 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM2 Q14416 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
SCHEMBL11271655 0.86 HDAC1 (0.51) HDAC1HDAC6ALOX15ALDH1A1L3MBTL1
SCHEMBL11267916 0.82 CAPN1 (0.48) RAB9AHDAC1HDAC6POLBALOX15
SCHEMBL11256499 0.80 NPSR1 (0.49) HDAC1HDAC6POLBALOX15ALDH1A1
SCHEMBL8726366 0.79 PLA2G10 (0.56) HDAC1HDAC6POLBALOX15ALDH1A1
SCHEMBL11265232 0.78 PLA2G10 (0.48) HDAC1HDAC6POLBALOX15ALDH1A1
SCHEMBL11266748 0.78 L3MBTL1 (0.42) HDAC1HDAC6POLBALOX15ALDH1A1
SCHEMBL11262289 0.77 CYP3A4 (0.43) ALOX15
SCHEMBL11263373 0.77 KMT2A (0.52) HDAC1HDAC6POLBALOX15ALDH1A1
SCHEMBL4577007 0.76 HDAC6 (0.49) RAB9AHDAC1HDAC6CYP4A11LOXL2
SCHEMBL11262980 0.75 ALDH1A1 (0.43) HDAC1HDAC6POLBALOX15ALDH1A1

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
EP-0005647-B1 HYDANTOIN COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Lilly Industries Limited (GB) 1982-06-09 EP disclosed
US-4293563-A ANTIASTHMATICS LILLY INDUSTRIES LIMITED (GB) 1981-10-06 US disclosed
US-4241073-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1980-12-23 US disclosed