SCHEMBL9482425

SCHEMBL9482425

CCCCCC1CC(O)OC1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 2/20 0.41
PPARG P37231 2/20 0.40

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
SCHEMBL9472637 0.98 HTT (0.53) HTTSMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL9472440 0.98 HTT (0.53) HTTSMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL9472312 0.98 HTT (0.53) HTTSMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL9472094 0.98 HTT (0.53) HTTSMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL15977119 0.87 KMT2A (0.49) HTTSMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL12700005 0.87 KMT2A (0.49) HTTSMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL5936394 0.80 HTT (0.49) HTTSMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL14040806 0.80 HTT (0.49) HTTSMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL14537908 0.80 HTT (0.49) HTTSMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL14252032 0.80 HTT (0.49) HTTSMN1; SMN2KMT2AMEN1CYP2C9

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-5202350-A Useful in inhibiting phospholipase A2 BRISTOL-MYERS SQUIBB CO. (US) 1993-04-13 US disclosed