SCHEMBL8092787

SCHEMBL8092787

O=C(O)CNC(=O)C1=CCCO1.O=C(O)CNC(=O)C1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.41
ALPG P10696 1/20 0.41
TP53 P04637 2/20 0.40
HPGD P15428 5/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL208990 0.83 KDM4E (0.46) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL209681 0.81 POLB (0.49) POLBPKMALDH1A1ALPGTP53
SCHEMBL13113179 0.67 NPC1 (0.33) TP53NPC1RAB9AKDM4E
SCHEMBL8203284 0.67 EGLN1 (0.38) POLBALDH1A1HPGDKDM4ETDP1
SCHEMBL16644094 0.65 PKM (0.67) POLBPKMALDH1A1ALPGTP53
SCHEMBL47294 0.64 POLB (0.50) POLBPKMALDH1A1ALPGTP53
SCHEMBL21941834 0.64 TSHR (0.51) POLBPKMALDH1A1ALPGTP53
SCHEMBL3270695 0.64 TSHR (0.51) POLBPKMALDH1A1ALPGTP53
SCHEMBL8813896 0.63 HPGD (0.54) ALDH1A1HPGDKDM4ESMN1; SMN2TDP1
SCHEMBL24177181 0.62 POLB (0.55) POLBPKMALDH1A1ALPGTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049458-A1 LYOPHILIZATION METHOD FOR SUSTAINED-RELEASE PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2000-11-08 EP disclosed
WO-1999037288-A1 LYOPHILIZATION METHOD FOR SUSTAINED-RELEASE PREPARATIONS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-29 WO disclosed