SCHEMBL27205458

SCHEMBL27205458

CCC(CCCN)NCC(C)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SPHK1 Q9NYA1 1/20 0.31
LMNA P02545 2/20 0.30
CNR1 P21554 1/20 0.30
ADRA1A P35348 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TRPA1 O75762 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL20996682 0.82 LMNA (0.35) TSHRLMNACNR1ADRA1ATDP1
SCHEMBL7207274 0.79 TSHR (0.47) TSHRLMNACNR1ADRA1ATDP1
SCHEMBL20996693 0.78 LMNA (0.38) TSHRLMNACNR1ADRA1ATDP1
SCHEMBL6047553 0.77 SLC6A4 (0.32) TSHRLMNACNR1ADRA1ATDP1
SCHEMBL20357566 0.77
SCHEMBL21164236 0.75 LMNA (0.39) TSHRLMNACNR1ADRA1ATDP1
SCHEMBL27205715 0.74 SPHK1 (0.31) SPHK1
SCHEMBL8746735 0.72 DNM1 (0.33) TSHRTDP1
SCHEMBL27052994 0.71 DNM1 (0.35) TSHR
SCHEMBL8852181 0.70

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
EP-3891260-B1 HYDROGEN SULPHIDE AND MERCAPTANS SCAVENGING COMPOSITIONS TOTALENERGIES ONETECH (FR) 2024-09-11 EP disclosed
US-11952546-B2 Hydrogen sulphide and mercaptans scavenging compositions TOTAL MARKETING SERVICES (FR) 2024-04-09 US disclosed
US-20220041944-A1 HYDROGEN SULPHIDE AND MERCAPTANS SCAVENGING COMPOSITIONS TOTAL MARKETING SERVICES (FR) 2022-02-10 US disclosed