SCHEMBL6965396

SCHEMBL6965396

N#CCCCCOCC([O])=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.33
TSHR P16473 1/20 0.32
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6964936 0.93 CES2 (0.33) CES2ZDHHC20TSHRTDP1
SCHEMBL6965399 0.85 EPHX2 (0.37) CES2TSHR
SCHEMBL6969895 0.84
SCHEMBL6965605 0.80 CES2 (0.36) CES2ZDHHC20TSHRPDE3BPDE3A
SCHEMBL6964938 0.78 TSHR (0.35) CES2TSHR
SCHEMBL1460543 0.78 TSHR (0.43) TSHRTDP1
Acrylic Acid SCHEMBL9332242 0.78 ZDHHC20 (0.43) ZDHHC20TSHR
Bicarbonate SCHEMBL4954542 0.76 TSHR (0.41) TSHRTDP1
SCHEMBL16926969 0.76 TSHR (0.41) ZDHHC20TSHRTDP1
SCHEMBL6613066 0.76 TSHR (0.41) ZDHHC20TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed