SCHEMBL9011532

SCHEMBL9011532

CCCCCOc1ccc2c(c1)c1ccc(OCCCCC)cc1c1ccc(OCCCCC)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.55
LTA4H P09960 3/20 0.53
TSHR P16473 2/20 0.53
HTR1B P28222 8/20 0.51
HTR1A P08908 7/20 0.51
HTR1D P28221 7/20 0.51
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTR2A P28223 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL12485019 0.98 NR5A1 (0.58) NR5A1LTA4HTSHRHTR1BHTR1A
SCHEMBL12483695 0.98 NR5A1 (0.58) NR5A1LTA4HTSHRHTR1BHTR1A
SCHEMBL9011613 0.93 NR5A1 (0.49) NR5A1LTA4HTSHRHTR1BHTR1A
SCHEMBL29285266 0.93 LTA4H (0.56) NR5A1LTA4HTSHRHTR1BHTR1A
SCHEMBL28825823 0.91 NR5A1 (0.51) NR5A1LTA4HTSHRHTR1BHTR1A
SCHEMBL31006075 0.91 NR5A1 (0.51) NR5A1LTA4HTSHRHTR1BHTR1A
SCHEMBL28050705 0.91 NR5A1 (0.51) NR5A1LTA4HTSHRHTR1BHTR1A
SCHEMBL12627591 0.89 NR5A1 (0.53) NR5A1LTA4HTSHRHTR1BHTR1A
SCHEMBL31006077 0.88 CYP1A2 (0.47) NR5A1LTA4HTSHRHTR1BHTR1A
SCHEMBL12627609 0.87 LTA4H (0.50) NR5A1LTA4HTSHRHTR1BHTR1A

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-0742197-A1 Triphenylenederivatives BASF AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed