SCHEMBL6522086

SCHEMBL6522086

CCCCCC1[CH]CC(CCCCC)[CH]C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 1/20 0.38
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
DNM1 Q05193 3/20 0.33
ALOX5 P09917 1/20 0.32
CYP1A2 P05177 4/20 0.32
GBA1 P04062 3/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL6520235 0.97 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBDNM1
SCHEMBL6516816 0.97 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBDNM1
SCHEMBL6518340 0.97 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBDNM1
SCHEMBL6526148 0.97 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBDNM1
SCHEMBL16554088 0.97
SCHEMBL5273312 0.97
SCHEMBL5239334 0.95
SCHEMBL5698371 0.95 ALDH1A1 (0.46) ALDH1A1EPHX1TSHRTHRBDNM1
SCHEMBL6527161 0.92 CYP1A2 (0.39) ALDH1A1EPHX1TSHRTHRBCYP1A2
SCHEMBL5030035 0.89

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-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed