SCHEMBL14626470

SCHEMBL14626470

COC(C)COC(C)COc1ccc(C(C)(C)c2ccc(OCC(C)OCC3CO3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 4/20 0.59
TP53 P04637 3/20 0.59
TSHR P16473 3/20 0.59
HIF1A Q16665 3/20 0.59
MAPT P10636 2/20 0.59
HPGD P15428 2/20 0.59
CYP1A2 P05177 1/20 0.59
PPARG P37231 1/20 0.59
HTT P42858 1/20 0.37
PKM P14618 2/20 0.36
AR P10275 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
PSMB2 P49721 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
SCHEMBL26703804 0.95 ALDH1A1 (0.65) KMT2AALDH1A1MEN1TP53TSHR
SCHEMBL24856805 0.95 ALDH1A1 (0.65) KMT2AALDH1A1MEN1TP53TSHR
SCHEMBL194944 0.93 ALDH1A1 (0.68) KMT2AALDH1A1MEN1TP53TSHR
SCHEMBL13050068 0.90 KMT2A (0.74) KMT2AALDH1A1MEN1TP53TSHR
SCHEMBL12502215 0.90 KMT2A (0.74) KMT2AALDH1A1MEN1TP53TSHR
SCHEMBL10331088 0.88 MAPT (0.59) KMT2AALDH1A1MEN1TP53TSHR
SCHEMBL17922238 0.87 KMT2A (0.58) KMT2AALDH1A1MEN1TP53TSHR
SCHEMBL18373646 0.87 KMT2A (0.60) KMT2AALDH1A1MEN1TP53TSHR
SCHEMBL18287427 0.86 HIF1A (0.47) KMT2AALDH1A1MEN1TP53TSHR
SCHEMBL19870499 0.86 KMT2A (0.59) KMT2AALDH1A1MEN1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7171087-B2 Optical fiber cable HITACHI CABLE, LTD. (JP) 2007-01-30 US disclosed