SCHEMBL7855263

SCHEMBL7855263

[CH2]CCCCc1ccccc1OCCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
LTB4R Q15722 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL9828737 0.98 THRA (0.52) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL3027255 0.95 THRA (0.51) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL3023099 0.95 THRA (0.48) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL4621013 0.94 THRA (0.54) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL7436582 0.94 THRA (0.50) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL8523169 0.92 LTB4R (0.55) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL20739971 0.90 CYP1A2 (0.47) THRATHRBLTB4RLTB4R2CYP1A2
SCHEMBL6550074 0.90 LTB4R (0.57) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL11043183 0.90 LTB4R (0.57) THRATHRBLTB4RLTB4R2ALOX5
SCHEMBL9489161 0.90 LTB4R (0.57) THRATHRBLTB4RLTB4R2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed