SCHEMBL11054339

SCHEMBL11054339

CCCCCCCCCCCCCCCCOc1c(Cl)cccc1C(=O)[O-].CCCCCCCCCCCCCCCCOc1c(Cl)cccc1C(=O)[O-].CCCCCCCCCCCCCCCCOc1c(Cl)cccc1C(=O)[O-].[Al+3]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR1 P21554 2/20 0.41

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
SCHEMBL11044270 0.86 PTPN11 (0.51) LMNATSHRALDH1A1CYP3A4KMT2A
SCHEMBL6131321 0.84 LMNA (0.61) LMNATSHRALDH1A1CYP3A4KMT2A
SCHEMBL11059263 0.84 KMT2A (0.45) LMNATSHRALDH1A1KMT2AMEN1
SCHEMBL11031950 0.83 TSHR (0.41) TSHRALDH1A1KMT2AMAPTKDM4E
SCHEMBL27616827 0.81 CCNB2 (0.52) LMNATSHRALDH1A1CYP3A4KMT2A
SCHEMBL20414593 0.80 L3MBTL1 (0.51) LMNATSHRALDH1A1CYP3A4KMT2A
SCHEMBL28226095 0.80 TSHR (0.46) LMNATSHRALDH1A1CYP3A4KMT2A
SCHEMBL28107073 0.80 KMT2A (0.47) TSHRALDH1A1KMT2AMEN1TP53
SCHEMBL11030449 0.79 RAB9A (0.51) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL9699724 0.77 NR5A1 (0.47) TSHRALDH1A1KMT2AMEN1MAPT

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
US-4434178-A ORGANOALUMINUM CHLORIDE COMPOUNDS HOFFMANN-LA ROCHE, INC. (US) 1984-02-28 US claimed
EP-0049498-A1 Aluminium compounds that contain an organic rest, anti-sudorific agent containing these compounds as active components and application of this agent as an anti-sudorific agent Richardson-Vicks, Inc. (US) 1982-04-14 EP claimed