SCHEMBL9751573

SCHEMBL9751573

CCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1.Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.82
KDM4E B2RXH2 9/20 0.82
KMT2A Q03164 7/20 0.82
GAA P10253 6/20 0.82
GLA P06280 5/20 0.82
HPGD P15428 5/20 0.59
MEN1 O00255 3/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 4/20 0.55
HSD17B10 Q99714 2/20 0.54
NPBWR1 P48145 1/20 0.54
AR P10275 2/20 0.52
F2 P00734 1/20 0.52

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
SCHEMBL145934 0.91 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AGAAGLA
SCHEMBL140039 0.87 ALDH1A1 (0.66) ALDH1A1KDM4EKMT2AGAAGLA
SCHEMBL29391759 0.87 ALDH1A1 (0.66) ALDH1A1KDM4EKMT2AGAAGLA
Phosphoric Acid SCHEMBL9224251 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AGAAGLA
SCHEMBL28590565 0.84 ALDH1A1 (0.86) ALDH1A1KDM4EKMT2AGAAGLA
SCHEMBL381035 0.83 ALDH1A1 (0.84) ALDH1A1KDM4EKMT2AGAAGLA
SCHEMBL1095310 0.83 ALDH1A1 (0.84) ALDH1A1KDM4EKMT2AGAAGLA
SCHEMBL3219473 0.83 ALDH1A1 (0.84) ALDH1A1KDM4EKMT2AGAAGLA
SCHEMBL381723 0.83 ALDH1A1 (0.84) ALDH1A1KDM4EKMT2AGAAGLA
SCHEMBL336958 0.83 ALDH1A1 (0.84) ALDH1A1KDM4EKMT2AGAAGLA

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-0411038-A1 PROCESS FOR FORMING AND USING MICRODROPLETS. MASSACHUSETTS INST TECHNOLOGY (US) 1991-02-06 EP claimed
WO-1989010566-A1 PROCESS FOR FORMING AND USING MICRODROPLETS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1989-11-02 WO claimed