SCHEMBL1126743

SCHEMBL1126743

COCCCOC(=O)c1c(-c2ccccc2)c(C(=O)OC)c(C)n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.49
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARG P37231 2/20 0.39
NR2E3 Q9Y5X4 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
PABPC1 P11940 1/20 0.39
MAPK1 P28482 1/20 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
SCHEMBL1990335 0.81 AR (0.57) ARTSHRTP53RAB9ASMN1; SMN2
SCHEMBL1126972 0.80 AR (0.56) ARHPGDTSHRTP53MAPT
SCHEMBL1127045 0.80 TSHR (0.68) ARHPGDTSHRMAPTRAB9A
SCHEMBL28645817 0.76 TSHR (0.54) ARHPGDTSHRMAPTRAB9A
SCHEMBL1126643 0.74 TSHR (0.54) ARHPGDTSHRTP53MAPT
SCHEMBL1991365 0.73 TSHR (0.50) HPGDTSHRTP53MAPTRAB9A
SCHEMBL1126728 0.71 AR (0.44) ARTSHRTP53MAPTALDH1A1
SCHEMBL21484965 0.71 TSHR (0.55) HPGDTSHRMAPTRAB9ASMN1; SMN2
SCHEMBL9952023 0.70 TDP1 (0.75) TSHRSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL1990320 0.69 TSHR (0.48) ARHPGDTSHRTP53MAPT

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