SCHEMBL10399183

SCHEMBL10399183

CCCCCCCCCCCC/C(=C\C=C\C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 7/20 0.53
CNR1 P21554 4/20 0.45
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PDE4B Q07343 1/20 0.43
THRB P10828 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
THRA P10827 1/20 0.42

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
SCHEMBL10398955 1.00 PTAFR (0.53) PTAFRCNR1CNR2TP53TSHR
SCHEMBL10399186 1.00 PTAFR (0.53) PTAFRCNR1CNR2TP53TSHR
SCHEMBL10398907 1.00 PTAFR (0.53) PTAFRCNR1CNR2TP53TSHR
SCHEMBL10398954 1.00 PTAFR (0.53) PTAFRCNR1CNR2TP53TSHR
SCHEMBL10398908 1.00 PTAFR (0.53) PTAFRCNR1CNR2TP53TSHR
SCHEMBL10399228 0.99 PTAFR (0.52) PTAFRCNR1CNR2PDE4BTHRB
SCHEMBL10399227 0.99 PTAFR (0.52) PTAFRCNR1CNR2PDE4BTHRB
SCHEMBL10399226 0.99 PTAFR (0.52) PTAFRCNR1CNR2PDE4BTHRB
SCHEMBL10399322 0.95 PTAFR (0.52) PTAFRPDE4BTHRBATM
SCHEMBL10399321 0.95 PTAFR (0.52) PTAFRPDE4BTHRBATM

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-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed