SCHEMBL9501290

SCHEMBL9501290

CCCCOC1=CCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTA4H P09960 2/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6160680 1.00 TSHR (0.40) TSHRALDH1A1HPGDMAPK1RECQL
SCHEMBL6160683 1.00 TSHR (0.40) TSHRALDH1A1HPGDMAPK1RECQL
SCHEMBL7057550 0.98 TSHR (0.38) TSHRALDH1A1HPGDLTA4HMEN1
SCHEMBL28894182 0.94 LTA4H (0.36) TSHRHPGDLTA4HMEN1KMT2A
SCHEMBL11699138 0.92 LTA4H (0.37) TSHRHPGDLTA4HMEN1KMT2A
SCHEMBL9499471 0.92 LTA4H (0.35) TSHRALDH1A1HPGDMAPK1RECQL
SCHEMBL11124801 0.91 LTA4H (0.39) TSHRHPGDLTA4HMEN1KMT2A
SCHEMBL10798480 0.91 LTA4H (0.39) TSHRHPGDLTA4HMEN1KMT2A
SCHEMBL10941285 0.90 CYP1A2 (0.34) TSHRALDH1A1HPGDMAPK1HRH3
SCHEMBL10941293 0.90 CYP1A2 (0.34) TSHRALDH1A1HPGDMAPK1HRH3

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-0272110-B1 ERYTHROMYCIN A DERIVATIVES AND METHOD FOR THE PREPARATION OF THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-04-07 EP disclosed
US-4990602-A Bactericides TAISHO PHARMACEUTICAL CO., LTD. (JP) 1991-02-05 US disclosed
EP-0272110-A2 Erythromycin a derivatives and method for the preparation of the same TAISHO PHARMACEUTICAL CO. LTD (JP) 1988-06-22 EP disclosed