Sugi Predict

Sugi Predict / Compounds / SCHEMBL1680040

SCHEMBL1680040

SCHEMBL1680040

CN(C)c1ccc(-c2cccc3c2C(c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)OC3=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TDP1 Q9NUW8 4/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MMP2 P08253 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ CFTR P13569 1/20 0.39
▸ GOPC Q9HD26 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL30961234 0.85 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL21834908 0.85 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL11840024 0.84 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL29723848 0.83 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL28564000 0.82 TDP1 (0.63) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL8719849 0.81 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL8417651 0.79 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL50863 0.78 TDP1 (0.75) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL4258727 0.77 CFTR (0.59) ALDH1A1TDP1CYP3A4HSD17B10MEN1
SCHEMBL9328770 0.76 CFTR (0.73) ALDH1A1TDP1CYP3A4HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997027360-A1 PHASE SEPARATION APPARATUS SCAPA GROUP PLC (GB) 1997-07-31 — — WO claimed
JP-3133321-A — — None — — JP disclosed
EP-2686401-A1 MESOGEN-CONTAINING COMPOUNDS Transitions Optical, Inc. (US) 2014-01-22 — — EP disclosed
WO-2012128944-A1 MESOGEN-CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-09-27 — — WO disclosed
EP-2303987-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2011-04-06 — — EP disclosed
EP-2303988-A1 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2011-04-06 — — EP disclosed
EP-2170150-A2 FOAMING HAND SPONGE FOR BODILY CLEANSING WITH COLOR CHANGE INDICATOR KIMBERLY-CLARK WORLDWIDE, INC. (US) 2010-04-07 — — EP disclosed
EP-2170149-A2 FOAMING HAND SPONGE WITH COLOR CHANGE INDICATOR KIMBERLY-CLARK WORLDWIDE, INC. (US) 2010-04-07 — — EP disclosed
WO-2009158488-A1 LIQUID CRYSTAL COMPOSITIONS COMPRISING MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-30 — — WO disclosed
WO-2009158483-A1 MESOGEN CONTAINING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2009-12-30 — — WO disclosed
WO-2009007924-A2 FOAMING HAND SPONGE WITH COLOR CHANGE INDICATOR KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-01-15 — — WO disclosed
WO-2009007926-A2 FOAMING HAND SPONGE FOR BODILY CLEANSING WITH COLOR CHANGE INDICATOR KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-01-15 — — WO disclosed
WO-1997027360-A1 PHASE SEPARATION APPARATUS SCAPA GROUP PLC (GB) 1997-07-31 — — WO disclosed
JP-H03133321-A AGRICULTURAL COVERING MATERIAL AND SNOW MELTING PROMOTER USING SAME MATERIAL C I KASEI CO LTD 1991-06-06 — — JP disclosed