SCHEMBL11513352

SCHEMBL11513352

CC(C)(C)C(=O)C(O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL11512566 0.81 CYP3A4 (0.52) HPGDMEN1KMT2AMAPTGPR55
SCHEMBL10165376 0.81 GAA (0.53) HPGDMEN1KMT2ARXFP1ATM
SCHEMBL11300616 0.79 L3MBTL1 (0.41) HPGDMEN1KMT2ARXFP1ATM
SCHEMBL10834165 0.79 ATM (0.41) HPGDMEN1KMT2ARXFP1ATM
SCHEMBL9683606 0.79 HSP90AA1 (0.49) HPGDMEN1KMT2ARXFP1ATM
SCHEMBL14035571 0.78 MEN1 (0.40) HPGDMEN1KMT2ARXFP1ATM
SCHEMBL4368354 0.77 CYP1A2 (0.47) GAALMNAMTNR1AMTNR1BCYP1A2
SCHEMBL11807262 0.77 PPARG (0.44) TSHRALDH1A1MTNR1AMTNR1B
SCHEMBL8235855 0.77 ALDH1A1 (0.54) HPGDMEN1KMT2AL3MBTL1MAPT
SCHEMBL11803354 0.75 PPARG (0.44) HSP90AA1MAPTGPR55TSHRALDH1A1

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
US-4147791-A 1-Substituted-1,2,4-triazole fungicidal compositions and methods for combatting fungi that infect or attack plants BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4048318-A 1-Substituted-1,2,4-triazole fungicides BAYER AKTIENGESELLSCHAFT (DT) 1977-09-13 US disclosed