SCHEMBL21343679

SCHEMBL21343679

CC#Cc1cc(C)c(C2C(=O)CCCN(C(=O)C3CC3)CCCC2O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 3/20 0.34
BRD4 O60885 1/20 0.33
GFER P55789 1/20 0.33
CNR1 P21554 1/20 0.33
HTT P42858 2/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
TP53 P04637 1/20 0.30
USP2 O75604 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL22992045 0.93 ALDH1A1 (0.38) BRD4HTTMAPTALDH1A1
SCHEMBL21344245 0.92 NPC1 (0.38) MEN1KMT2AHPGDTSHRALDH1A1
SCHEMBL21285242 0.89 EPHX2 (0.33) MEN1KMT2ACNR1TSHR
SCHEMBL21344668 0.87 ALDH1A1 (0.32) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL24325228 0.85 GAA (0.30)
SCHEMBL21285233 0.85 MAPK1 (0.31) ALDH1A1RAB9A
SCHEMBL19773776 0.84 CNR1 (0.36) CNR1
SCHEMBL22992135 0.83 PROKR1 (0.33)
SCHEMBL22992154 0.83 RECQL (0.42) KMT2AHTTLMNATSHRALDH1A1
SCHEMBL24426578 0.83 HSP90AA1 (0.43) MEN1KMT2AHTTMAPTALDH1A1

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-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed
WO-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO disclosed