SCHEMBL31402508

SCHEMBL31402508

O=C(O)C(NO)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49
SRC P12931 1/20 0.47
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
YARS1 P54577 1/20 0.40
ESR1 P03372 5/20 0.39
ESR2 Q92731 5/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
TYR P14679 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39

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
SCHEMBL30728815 0.82 CYP2D6 (0.52) NAALAD2SRCKMT2ACA1CA2
SCHEMBL18071412 0.82 CYP2D6 (0.52) NAALAD2SRCKMT2ACA1CA2
SCHEMBL31173416 0.81 FOLH1 (0.55) FOLH1NAALAD2SRCKMT2AATM
SCHEMBL5427932 0.81 FOLH1 (0.55) FOLH1NAALAD2SRCKMT2AATM
SCHEMBL6714743 0.81 FOLH1 (0.55) FOLH1NAALAD2SRCKMT2AATM
SCHEMBL6532996 0.81 PEPD (0.42) FOLH1NAALAD2SRCKMT2AATM
Hydrochloric Acid SCHEMBL30368094 0.80 CYP2D6 (0.50) NAALAD2SRCKMT2ACA1CA2
Hydrochloric Acid SCHEMBL1971853 0.79 FOLH1 (0.54) FOLH1NAALAD2SRCKMT2AATM
Hydrochloric Acid SCHEMBL1971852 0.79 FOLH1 (0.54) FOLH1NAALAD2SRCKMT2AATM
SCHEMBL2338313 0.79 FOLH1 (0.50) FOLH1NAALAD2SRCKMT2AATM

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
CN-119541903-B Method for identifying effectiveness of gastrodia elata extract in preventing and treating parkinsonism 中国农业科学院农产品加工研究所 2025-06-13 CN disclosed
CN-119541903-A Method for identifying effectiveness of gastrodia elata extract in preventing and treating parkinsonism 中国农业科学院农产品加工研究所 2025-02-28 CN disclosed