SCHEMBL1127194

SCHEMBL1127194

COCCOCn1c(C)c(C(=O)O)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.43
TP53 P04637 1/20 0.39
GRIA2 P42262 2/20 0.39
GRIA4 P48058 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 2/20 0.36
GFER P55789 1/20 0.36
HPGD P15428 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL1126910 0.89 AR (0.43) ARGRIA2GRIA4MEN1KMT2A
SCHEMBL1127128 0.86 AR (0.41) ARGRIA2GRIA4MEN1KMT2A
SCHEMBL1127384 0.86 AR (0.46) ARTP53GRIA2GRIA4MEN1
SCHEMBL1126762 0.86 AR (0.43) ARGRIA2GRIA4MEN1KMT2A
SCHEMBL1126728 0.84 AR (0.44) ARTP53GRIA2GRIA4MEN1
SCHEMBL1990320 0.83 TSHR (0.48) ARTP53MEN1KMT2AHPGD
SCHEMBL1127111 0.79 KDM4E (0.45) ARGRIA2GRIA4MEN1KMT2A
SCHEMBL1988958 0.78 KDM4E (0.49) ARGRIA2GRIA4MEN1KMT2A
SCHEMBL15162445 0.77 AR (0.43) ARGRIA2GRIA4MEN1KMT2A
SCHEMBL1126535 0.77 AR (0.43) ARGRIA2GRIA4MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
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