SCHEMBL6160141

SCHEMBL6160141

S=C(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
PGR P06401 1/20 0.55
PTGS1 P23219 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MMP2 P08253 1/20 0.50
KDM4E B2RXH2 3/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
HTR1B P28222 2/20 0.46
FABP7 O15540 3/20 0.45
FABP3 P05413 3/20 0.45
FABP5 Q01469 3/20 0.45

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
SCHEMBL2468024 0.91 KCNA3 (0.49) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL6884394 0.87 ALDH1A1 (0.55) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL10371690 0.83 KMT2A (0.54) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL28185876 0.83 HSD17B10 (0.51) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL31141878 0.83 ALDH1A1 (0.51) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL8812143 0.83 ALDH1A1 (0.51) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL30263401 0.83 KMT2A (0.54) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL2463835 0.81 HPRT1 (0.44) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL11316962 0.79 ALDH1A1 (0.55) HSD17B10ALDH1A1GAAPGRPTGS1
SCHEMBL5312172 0.79 ALDH1A1 (0.61) HSD17B10ALDH1A1GAAPGRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504257-A1 DIAGNOSTIC TEST FOR ELEMENTAL IMBALANCES Future Data Inc. (US) 2005-02-09 EP claimed
US-6821786-B2 HOME/SELF-DIAGNOSIS; MICROTRACINGS FUTURE DATA INC. 2004-11-23 US claimed
WO-2003091725-A1 DIAGNOSTIC TEST FOR ELEMENTAL IMBALANCES FUTURE DATA INC. (US) 2003-11-06 WO claimed
US-20030203495-A1 Diagnostic test for elemental imbalances FUTURE DATA INC. 2003-10-30 US claimed