SCHEMBL9795667

SCHEMBL9795667

C=C(C(=O)OCCCCCC)C(C=C(C)C(=O)O)CC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
HCAR2 Q8TDS4 3/20 0.43
NAAA Q02083 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.36
FAAH O00519 2/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CES2 O00748 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8423616 0.93 TSHR (0.52) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL4436175 0.86 TSHR (0.55) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL1009862 0.78
SCHEMBL4356482 0.76 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL21817064 0.76 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL21360132 0.76 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL28075392 0.76 TSHR (0.56) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL17063567 0.76 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL14660709 0.76 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL6274865 0.76 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002848-A Thermoplastic resin particles with a positive charge, a carboxylic acid adjuvants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-26 US disclosed
EP-0417779-A2 Substituted carboxylic acids as adjuvants for positive electrostatic liquid developers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-03-20 EP disclosed