SCHEMBL8045814

SCHEMBL8045814

C=CCN(CC=C)c1ccc(OCC2CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ TP53 P04637 3/20 0.49
▸ TSHR P16473 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PKM P14618 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ APP P05067 1/20 0.39
▸ GLA P06280 1/20 0.37
▸ FGFR1 P11362 1/20 0.35
▸ SRC P12931 1/20 0.35

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
SCHEMBL16640991 0.93 TDP1 (0.47) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL13811429 0.81 TDP1 (0.58) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL15246779 0.81 TDP1 (0.58) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL12002403 0.81 TDP1 (0.58) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL27630 0.81 TDP1 (0.58) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL15168182 0.80 ALDH1A1 (0.57) TDP1ALDH1A1TP53TSHRMAPT
Water SCHEMBL936895 0.80 TDP1 (0.56) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL13948495 0.79 ALDH1A1 (0.60) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL7282257 0.79 ALDH1A1 (0.60) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL11658554 0.79 TDP1 (0.59) TDP1ALDH1A1TP53TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6027849-A SUBSTRATE COATED WITH PHOTOSENSITIVE LAYER COMPRISING A RADIATION ABSORBING MATERIAL AND POLYGLYCIDYL AZIDE CAPABLE SOLVENT-FREE RELIEF IMAGE DEVELOPMENT; PRINTING PLATES IMATION CORP. (US) 2000-02-22 — — US disclosed
EP-0562952-B1 Ablative imageable element MINNESOTA MINING & MFG (US) 1996-12-27 — — EP disclosed
EP-0562952-A1 Ablative imageable element MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-09-29 — — EP disclosed
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