SCHEMBL1127408

SCHEMBL1127408

CCCOCc1c(C)[nH]c(C(=O)C(=O)Cl)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
STAT1 P42224 1/20 0.39
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
CSF1R P07333 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 1/20 0.36
XBP1 P17861 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.34
NR4A1 P22736 1/20 0.34
NPC1 O15118 3/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1127422 0.90 RAB9A (0.41) RAB9AMAPTNPSR1STAT1POLB
SCHEMBL1126902 0.89 LMNA (0.38) RAB9AMAPTNPSR1STAT1POLB
SCHEMBL1126936 0.83 CSF1R (0.39) RAB9AMAPTNPSR1STAT1POLB
SCHEMBL1126894 0.79 LMNA (0.48) RAB9AMAPTALDH1A1LMNATSHR
SCHEMBL1127778 0.79 LMNA (0.39) RAB9AMAPTNPSR1STAT1CSF1R
SCHEMBL1127399 0.76 LMNA (0.35) RAB9AMAPTNPSR1STAT1CSF1R
SCHEMBL1127366 0.74 LMNA (0.37) RAB9AMAPTNPSR1STAT1POLB
SCHEMBL1126655 0.74 TBXAS1 (0.42) RAB9AMAPTNPSR1STAT1ALDH1A1
SCHEMBL1127186 0.74 MTNR1A (0.45) RAB9AMAPTALDH1A1HPGDCYP1A2
SCHEMBL1126974 0.73 LMNA (0.43) RAB9AMAPTNPSR1STAT1POLB

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed