SCHEMBL28636878

SCHEMBL28636878

CC(C)OC(=O)Cc1cc(C(=O)OC2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN2 P17706 1/20 0.36

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
SCHEMBL28558455 0.76 SCN1A (0.44) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL7353109 0.73 PDE5A (0.50) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL27879690 0.71 HPGD (0.50) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL11249148 0.71 KMT2A (0.60) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL27714575 0.70 NT5E (0.39) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL28780647 0.69 CRHBP (0.42) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL17941259 0.68 MEN1 (0.49) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL27400395 0.68 PTPN2 (0.70) NPC1RAB9APOLBALDH1A1L3MBTL1
SCHEMBL28456928 0.68 NPC1 (0.49) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL28635267 0.68 ALDH1A1 (0.46) KMT2AMEN1NPC1RAB9APOLB

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
CN-113473985-A Cyclopentanoic acid as LPA antagonist 百时美施贵宝公司 2021-10-01 CN disclosed