SCHEMBL14778355

SCHEMBL14778355

CCCCCCCC(CCCC)(OCCCC)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
GGPS1 O95749 6/20 0.35
SMPD1 P17405 4/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
FDPS P14324 9/20 0.34
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL14778045 1.00 TSHR (0.38) TSHRTHRBGGPS1SMPD1ADRB2
SCHEMBL14777506 0.98 TSHR (0.40) TSHRTHRBGGPS1SMPD1ADRB2
SCHEMBL14778033 0.98 ADRB2 (0.36) TSHRTHRBGGPS1SMPD1ADRB2
SCHEMBL14779371 0.95 ADRB2 (0.38) TSHRTHRBGGPS1SMPD1ADRB2
SCHEMBL14779386 0.93 TSHR (0.36) TSHRTHRBGGPS1SMPD1ADRB2
SCHEMBL14779511 0.93 TSHR (0.36) TSHRTHRBGGPS1SMPD1ADRB2
SCHEMBL14780133 0.93 TSHR (0.36) TSHRTHRBGGPS1SMPD1ADRB2
SCHEMBL29555246 0.93 THRB (0.40) TSHRTHRBGGPS1LPAR1LPAR3
SCHEMBL14779089 0.93 ADRB2 (0.39) TSHRTHRBADRB2ADRB1ADRB3
SCHEMBL14779108 0.91 CYP3A4 (0.36) TSHRTHRBGGPS1SMPD1ADRB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed