SCHEMBL29013608

SCHEMBL29013608

N=C=O.O=[SH](=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
TSHR P16473 1/20 0.46
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
PGR P06401 3/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
GSTP1 P09211 1/20 0.40
SOS1 Q07889 1/20 0.40
PARP10 Q53GL7 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRD5A2 P31213 1/20 0.39
MGLL Q99685 1/20 0.38
TGM2 P21980 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38

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
SCHEMBL14043359 0.90 LTA4H (0.57) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL42900 0.83 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL1322389 0.83 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL3447175 0.83 LTA4H (0.67) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL28835548 0.81
SCHEMBL13788529 0.81 ALDH1A1 (0.41) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL24565574 0.77 LTA4H (0.42) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL13881809 0.74 HTT (0.59) PGRSOS1SMN1; SMN2MMP2MMP8
Diphenylether SCHEMBL29039834 0.74 LTA4H (0.52) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL97638 0.73 LTA4H (0.57) LTA4HTSHRNR1H2BAXMAOA

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-110828748-B Imide resin film production system, imide resin film production method, and separator 东京应化工业株式会社 2023-05-09 CN disclosed