SCHEMBL11613152

SCHEMBL11613152

O=C(O)CCCn1c(C(=O)O)cc(=O)c2cc(O)c(=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 3/20 0.47
▸ FABP5 Q01469 3/20 0.47
▸ KDM4E B2RXH2 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ PLA2G4A P47712 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ WEE1 P30291 1/20 0.37
▸ FABP3 P05413 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ CTNNB1 P35222 1/20 0.35
▸ ABCB11 O95342 1/20 0.35

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
SCHEMBL11618317 0.92 POLB (0.49) FABP4FABP5KDM4EPOLBPKM
SCHEMBL11615779 0.85 KDM4E (0.45) KDM4EPOLBPKML3MBTL1ABCB11
SCHEMBL11621960 0.79 POLB (0.42) KDM4EPOLBPKMHSD17B10L3MBTL1
SCHEMBL11613651 0.79 KDM4E (0.46) KDM4EPOLBPKMHSD17B10L3MBTL1
SCHEMBL11613646 0.79 KDM4E (0.46) KDM4EPOLBPKMHSD17B10L3MBTL1
SCHEMBL11616435 0.78 PKM (0.42) KDM4EPOLBPKMABCB11
SCHEMBL11617064 0.76 GPR35 (0.49) KDM4EPOLBPKMHSD17B10MAPK1
SCHEMBL11617342 0.74 POLB (0.44) FABP4FABP5KDM4EPOLBPKM
SCHEMBL11617264 0.74 KDM4E (0.44) KDM4EHSD17B10CTNNB1
SCHEMBL8417551 0.71 FABP4 (0.56) FABP4FABP5KDM4EPOLBHSD17B10

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-4130649-A Cyclohepta [B]pyridine-2-carboxylic acid derivatives AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-12-19 — — US disclosed
Send feedback