SCHEMBL25196840

SCHEMBL25196840

CN(I)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
HPGD P15428 1/20 0.47
NR4A2 P43354 1/20 0.46
CPA1 P15085 2/20 0.46
CPA3 P15088 2/20 0.46
FOLH1 Q04609 1/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL9437347 1.00 CYP1A2 (0.52) CYP1A2MAPTALDH1A1ADAMTS5ALPI
SCHEMBL121728 0.85 MAPT (0.61) CYP1A2MAPTALDH1A1ADAMTS5ALPI
SCHEMBL756362 0.85 MAPT (0.61) CYP1A2MAPTALDH1A1ADAMTS5ALPI
SCHEMBL121727 0.85 MAPT (0.61) CYP1A2MAPTALDH1A1ADAMTS5ALPI
SCHEMBL31723949 0.85 CYP1A2 (0.55) CYP1A2MAPTALDH1A1ADAMTS5ALPI
SCHEMBL9177995 0.83 ALPI (0.55) CYP1A2MAPTALDH1A1ADAMTS5ALPI
SCHEMBL8370904 0.83 CYP1A2 (0.53) CYP1A2MAPTALDH1A1ADAMTS5ALPI
Hydrochloric Acid SCHEMBL6475636 0.83 ALDH1A1 (0.64) CYP1A2MAPTALDH1A1ADAMTS5ALPI
SCHEMBL8337022 0.83 CYP1A2 (0.53) CYP1A2MAPTALDH1A1ADAMTS5ALPI
Hydrochloric Acid SCHEMBL1082351 0.83 ALDH1A1 (0.64) CYP1A2MAPTALDH1A1ADAMTS5ALPI

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-4432834-A1 FUNGICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2024-09-25 EP claimed
WO-2023089007-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-05-25 WO claimed