SCHEMBL28357995

SCHEMBL28357995

Cc1ccc2occ(C(C)C(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAOB P27338 8/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX15 P16050 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
GAA P10253 1/20 0.39
MAOA P21397 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
SCHEMBL7539654 0.83 KDM4E (0.47) MAOBALDH1A1TSHRKMT2AKDM4E
SCHEMBL5762115 0.80 MAOB (0.49) MAOBMAOA
SCHEMBL13917260 0.80 ALDH1A1 (0.43) CYP3A4CYP2D6CYP2C9CYP2C19MAOB
SCHEMBL205724 0.78 KDM4E (0.46) CYP3A4CYP2D6CYP2C9CYP2C19MAOB
SCHEMBL20588783 0.77 PTGS2 (0.44) MAPTKMT2AMEN1
SCHEMBL17321019 0.77 ALDH1A1 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19MAOB
SCHEMBL14447034 0.75 POLB (0.47) CYP3A4CYP2D6CYP2C9CYP2C19MAOB
SCHEMBL205244 0.75 POLB (0.53) CYP3A4ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL10898831 0.73 MAOB (0.56) CYP3A4CYP2D6CYP2C9CYP2C19MAOB
SCHEMBL29933496 0.73 MAOB (0.56) CYP3A4CYP2D6CYP2C9CYP2C19MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018790-B Pyridazinone herbicides FMC公司 2023-09-19 CN disclosed
CN-111018790-A Pyridazinone herbicides FMC公司 2020-04-17 CN disclosed
CN-106458926-B Pyridazinone herbicides FMC公司 2020-01-03 CN disclosed