SCHEMBL1127241

SCHEMBL1127241

CSC(C)Cc1[nH]c(C(=O)O)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR35 Q9HC97 1/20 0.38
FBP1 P09467 3/20 0.37
MAP2 P11137 1/20 0.36
FABP3 P05413 3/20 0.35
FABP4 P15090 3/20 0.35
FABP5 Q01469 2/20 0.35
PIN1 Q13526 3/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 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
SCHEMBL1127126 0.80 MTNR1A (0.41) RPA1MCL1ALDH1A1KDM4EHPGD
SCHEMBL1127505 0.70 RPA1 (0.54) RPA1MCL1ALDH1A1KDM4EHPGD
SCHEMBL15798360 0.69 MAPT (0.44) MAPT
SCHEMBL11364006 0.64 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGFERFABP3
SCHEMBL1127401 0.63 CD274 (0.33) HPGDMEN1KMT2AMAPTLMNA
SCHEMBL18919750 0.63 MCL1 (0.68) RPA1MCL1ALDH1A1KDM4EHPGD
SCHEMBL10989712 0.62 KDM4E (0.50) RPA1MCL1ALDH1A1KDM4EHPGD
SCHEMBL15798540 0.62 MAPT (0.43) ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9863296 0.61 FBP1 (0.40) ALDH1A1HPGDMEN1HTTKMT2A
SCHEMBL5821110 0.61 KDM4E (0.44) RPA1MCL1ALDH1A1KDM4EHPGD

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