SCHEMBL9188802

SCHEMBL9188802

CCCCOC(=O)/C=C\C(=O)OC(O)CC

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.69
HCAR2 Q8TDS4 5/20 0.61
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.42
APP P05067 5/20 0.42
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9188811 1.00 ATM (0.69) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL8419555 0.93 HCAR2 (0.63) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL8419548 0.93 HCAR2 (0.63) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL8416615 0.89 HCAR2 (0.58) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL8416622 0.89 HCAR2 (0.58) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL3394221 0.84 ATM (0.71) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9190095 0.84 ATM (0.71) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL3394229 0.84 ATM (0.71) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL28209869 0.83 TSHR (0.71) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL301454 0.83 TSHR (0.43) ATMHCAR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017013670-A1 A ONE COMPONENT SELF-HEALING COATING COMPOSITION Asian Paints Ltd. (IN) 2017-01-26 WO claimed
US-4613633-A FOR PAPERBOAD COATING NIPPON ZEON CO., LTD. (JP) 1986-09-23 US claimed
WO-2017013670-A1 A ONE COMPONENT SELF-HEALING COATING COMPOSITION Asian Paints Ltd. (IN) 2017-01-26 WO disclosed
EP-0452841-B1 Thermosetting compositions, thermal latent hydroxyl compounds, thermal latent thiol compounds and methods of preparation thereof NIPPON OILS & FATS CO LTD (JP) 1995-12-27 EP disclosed
WO-1991003498-A1 POLYMERIZABLE OLIGOMERS AND COATINGS BASED ON BUTADIENE DESOTO, INC. (US) 1991-03-21 WO disclosed
US-4055607-A Acrylic coating compositions PPG INDUSTRIES, INC. (US) 1977-10-25 US disclosed