SCHEMBL10002802

SCHEMBL10002802

[CH2]CCC(OCCCC)(OCCCC)OCCCC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL28716473 0.98 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL8404973 0.82 CYP3A4 (0.40) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL11052663 0.82 ADRB2 (0.39) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL8859013 0.81 TSHR (0.46) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL126371 0.79 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL6902239 0.77 TSHR (0.33) ADRB2ADRB1ADRB3TSHRHPGD
SCHEMBL10453988 0.76 ADRB2 (0.35) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL11226643 0.74 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL10349353 0.74 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL11127014 0.74 ADRB2 (0.33) ADRB2ADRB1ADRB3TSHRCYP3A4

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-2471841-B1 ORGANIC SILICONE PARTICLES, METHOD OF PRODUCING ORGANIC SILICONE PARTICLES, AND COSMETIC, RESIN COMPOSITION AND COATING COMPOSITION CONTAINING ORGANIC SILICONE PARTICLES TAKEMOTO OIL & FAT CO LTD (JP) 2014-07-30 EP disclosed
EP-2471841-A1 ORGANIC SILICONE PARTICLES, METHOD OF PRODUCING ORGANIC SILICONE PARTICLES, AND COSMETIC, RESIN COMPOSITION AND COATING COMPOSITION CONTAINING ORGANIC SILICONE PARTICLES Takemoto Yushi Kabushiki Kaisha (JP) 2012-07-04 EP disclosed