SCHEMBL7861358

SCHEMBL7861358

CCCCOCCCCCCOc1[c]cccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR5A1 Q13285 1/20 0.39
TSHR P16473 6/20 0.38
ALDH1A1 P00352 4/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.37
APAF1 O14727 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36

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
SCHEMBL9668765 1.00 LTA4H (0.41) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL991125 0.98 LTA4H (0.42) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL7274140 0.95 LTA4H (0.40) LTA4HNR5A1TSHRALDH1A1APAF1
SCHEMBL10710501 0.95 LTA4H (0.41) LTA4HCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL7157592 0.93 RARB (0.40) LTA4HCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL9113345 0.93 LTA4H (0.34) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL659359 0.91 LTA4H (0.44) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL5495328 0.91 LTA4H (0.44) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL4943659 0.91 LTA4H (0.44) LTA4HCYP1A2CYP2C9CYP2C19NR5A1
SCHEMBL5144146 0.91 LTA4H (0.44) LTA4HCYP1A2CYP2C9CYP2C19NR5A1

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
EP-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed