SCHEMBL5964546

SCHEMBL5964546

C=C(C)C(=O)OCC1CC2C3CCCCC3CC1C1CCCC12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.30

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
SCHEMBL12641415 0.90 ALDH1A1 (0.44) ALDH1A1CHRM1TSHRTHRB
SCHEMBL15356243 0.80 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL11481185 0.79 ALDH1A1 (0.56) ALDH1A1TSHRTHRB
SCHEMBL12737034 0.77 ALDH1A1 (0.38) ALDH1A1THRB
SCHEMBL13225663 0.77 ALDH1A1 (0.33) ALDH1A1TSHRTHRB
SCHEMBL18900335 0.76 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL5964525 0.76 MAPT (0.42) ALDH1A1CHRM1TSHR
SCHEMBL11921512 0.76 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL19116291 0.76 ALDH1A1 (0.44) ALDH1A1CHRM1TSHRTHRB
SCHEMBL14491530 0.76 MAPT (0.34) ALDH1A1TSHR

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-7085470-B2 Plastic fiber-optic cable and producing method for the same FUJI PHOTO FILM CO., LTD. (JP) 2006-08-01 US disclosed
US-20040184757-A1 Plastic fiber-optic cable and producing method for the same FUJI PHOTO FILM CO., LTD. 2004-09-23 US disclosed