SCHEMBL13834342

SCHEMBL13834342

C=C(C)C(=O)OC1CC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.41
SLC6A3 Q01959 4/20 0.40
FABP7 O15540 2/20 0.40
FABP3 P05413 2/20 0.40
FABP5 Q01469 2/20 0.40
ELANE P08246 1/20 0.40
KDM1A O60341 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A4 P31645 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3170686 0.83 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1MAPK1TDP1ATM
SCHEMBL8097764 0.79 HDAC4 (0.46) SMN1; SMN2NPSR1SLC6A3FABP7FABP3
SCHEMBL11458171 0.78 HDAC4 (0.44) SMN1; SMN2NPSR1SLC6A3FABP7FABP3
SCHEMBL14714313 0.76 ALDH1A1 (0.50) SMN1; SMN2NPSR1SLC6A3KDM1AHDAC4
SCHEMBL14714314 0.76 ALDH1A1 (0.50) SMN1; SMN2NPSR1SLC6A3KDM1AHDAC4
SCHEMBL20503243 0.75 CHRM2 (0.50)
SCHEMBL20897888 0.75 CHRM2 (0.50)
SCHEMBL18788981 0.73 ELANE (0.42) SMN1; SMN2TDP1ATMSLC6A3ELANE
SCHEMBL10660930 0.73 SLC18A3 (0.44) TDP1FABP7FABP5ELANEALDH1A1
SCHEMBL28398832 0.72 TSHR (0.44) SMN1; SMN2NPSR1ELANEALDH1A1

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-8822119-B2 Bicomponent developing agent HUBEI DINGLONG CHEMICAL CO., LTD. (CN) 2014-09-02 US disclosed
EP-2669740-A1 TWO-COMPONENT DEVELOPER Hubei Dinglong Chemical Co., Ltd (CN) 2013-12-04 EP disclosed
US-20120295189-A1 BICOMPONENT DEVELOPING AGENT HUBEI DINGLONG CHEMICAL CO., LTD. (CN) 2012-11-22 US disclosed