SCHEMBL9618008

SCHEMBL9618008

COc1ccc(CCC2OC2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
F2RL1 P55085 1/20 0.46
MAOB P27338 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL1493179 0.75 FASN (0.49) TAAR1ALOX15
SCHEMBL20150695 0.73 CYP3A4 (0.43) CALM1TAAR1F2RL1MAOBKDM4E
SCHEMBL834551 0.73 TAAR1 (0.73) CALM1TAAR1F2RL1MAOBSIGMAR1
SCHEMBL8805151 0.73 DRD2 (0.53) CALM1TAAR1MAOBSIGMAR1AOC3
SCHEMBL9291908 0.72 MAOB (0.56) CALM1TAAR1MAOBSIGMAR1
SCHEMBL9291906 0.72 MAOB (0.56) CALM1TAAR1MAOBSIGMAR1
SCHEMBL16838790 0.72 MAOB (0.63) TAAR1MAOBSIGMAR1
Dextrose SCHEMBL5562186 0.71 SLC5A2 (0.53)
SCHEMBL77472 0.70 TAAR1 (0.61) CALM1TAAR1F2RL1MAOBSMN1; SMN2
SCHEMBL23266317 0.70 SLC5A2 (0.58)

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
JP-4283539-A None JP disclosed
JP-H04283539-A PRODUCTION OF OPTICALLY ACTIVE GLYCEROL ESTER NIPPON OIL & FATS CO LTD 1992-10-08 JP disclosed