SCHEMBL31053926

SCHEMBL31053926

COCCCOc1cc(C(N)=O)ccc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
PRSS1 P07477 4/20 0.59
SMPD1 P17405 5/20 0.57
TP53 P04637 1/20 0.55
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49

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
SCHEMBL88998 0.88 CA12 (0.67) PRSS1SMPD1TP53PDE4APDE4B
SCHEMBL15521570 0.88 MAPK1 (0.68) MAPK1PRSS1SMPD1PDE4APDE4B
SCHEMBL88815 0.88 KMT2A (0.62) PRSS1SMPD1TP53MEN1KMT2A
SCHEMBL6941556 0.88 MAPK1 (0.72) MAPK1PRSS1SMPD1TP53PDE4A
SCHEMBL2937932 0.86 SMPD1 (0.56) PRSS1SMPD1TP53PDE4APDE4B
SCHEMBL56262 0.86 MAPT (0.60) PRSS1SMPD1TP53PDE4APDE4B
Hydrochloric Acid SCHEMBL3372494 0.86 CA12 (0.65) PRSS1SMPD1TP53PDE4APDE4B
SCHEMBL4025985 0.86 MAPK1 (0.65) MAPK1PRSS1SMPD1TP53PDE4A
SCHEMBL8263100 0.85 MEN1 (0.59) PRSS1SMPD1TP53PDE4BMEN1
SCHEMBL30735682 0.82 SMPD1 (0.59) PRSS1SMPD1TP53PDE4APDE4B

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-118634256-A Preparation method of holly extract 浙江理工大学绍兴生物医药研究院有限公司 2024-09-13 CN disclosed