SCHEMBL27498488

SCHEMBL27498488

CCCCCCCCC(C)(C)CCCCC(C)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.45
GGPS1 O95749 6/20 0.41
GPR84 Q9NQS5 4/20 0.41
FFAR1 O14842 1/20 0.41
FDPS P14324 10/20 0.40
LMNA P02545 1/20 0.40
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL8897689 1.00 SPHK1 (0.45) SPHK1GGPS1GPR84FFAR1FDPS
SCHEMBL8895629 0.96 SPHK1 (0.41) SPHK1GGPS1GPR84FFAR1FDPS
SCHEMBL8898934 0.92 GGPS1 (0.41) SPHK1GGPS1GPR84FFAR1FDPS
SCHEMBL9717472 0.91 ACACB (0.42) SPHK1FFAR1
SCHEMBL7789316 0.89 ACACB (0.34) SPHK1FFAR1
SCHEMBL8896948 0.85 ACACB (0.38) SPHK1FFAR1
SCHEMBL1658449 0.85 TSHR (0.35) SPHK1FDPS
SCHEMBL7753952 0.84 SPHK1 (0.58) SPHK1GPR84FFAR1LMNA
SCHEMBL380156 0.84 SPHK1 (0.58) SPHK1GPR84FFAR1LMNA
SCHEMBL7623362 0.84 SPHK1 (0.58) SPHK1GPR84FFAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102167666-B Method for synthesizing high-enantiomer-purity diprionidae pheromone and stereo isomer UNIV XIAMEN 2013-09-18 CN claimed
CN-102167666-A Method for synthesizing high-enantiomer-purity diprionidae pheromone and stereo isomer UNIV XIAMEN 2011-08-31 CN claimed
CN-102167666-B Method for synthesizing high-enantiomer-purity diprionidae pheromone and stereo isomer UNIV XIAMEN 2013-09-18 CN disclosed
CN-102167666-A Method for synthesizing high-enantiomer-purity diprionidae pheromone and stereo isomer UNIV XIAMEN 2011-08-31 CN disclosed
CN-100503550-C Method for synthesizing optical purity pine sawfly sex pheromone SHANGHAI INST ORGANIC CHEM (CN) 2009-06-24 CN disclosed
CN-101007765-A Method for synthesizing optical purity pine sawfly sex pheromone SHANGHAI INST ORGANIC CHEM (CN) 2007-08-01 CN disclosed
CN-1233608-C Method for synthesizing high antimer pure pine needle bee sex pharomone (2S, 3S, 7S)-3,7-dimethyl-2-pentadeca alcohol ester UNIV XIAMEN (CN) 2005-12-28 CN disclosed
CN-1470490-A Method for synthesizing high antimer pure pine needle bee sex pharomone (2S, 3S, 7S)-3,7-dimethyl-2-pentadeca alcohol ester 厦门大学 2004-01-28 CN disclosed