SCHEMBL8895102

SCHEMBL8895102

[CH2]CCCCCCCCCCCC(=O)OC1CCCCCC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.47
CYP2C19 P33261 1/20 0.45
HTT P42858 2/20 0.42
CYP19A1 P11511 2/20 0.41
EPHX1 P07099 2/20 0.40
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL8894596 1.00 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7695902 1.00 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL6881386 1.00 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8894124 1.00 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8896978 1.00 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7691549 1.00 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL7694024 1.00 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8893818 1.00 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8894303 1.00 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL8896532 1.00 NAAA (0.70) NAAASMN1; SMN2CYP2C19HTTCYP19A1

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed