SCHEMBL9450600

SCHEMBL9450600

CCCC[C@H]1C[C@@H](CCC)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 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
SCHEMBL9450601 1.00 KMT2A (0.55) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL9450597 1.00 KMT2A (0.55) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL14973545 0.94 KMT2A (0.60) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL9450633 0.91 HTT (0.58) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL14994325 0.89 KMT2A (0.51) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL3657694 0.89 HTT (0.59) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL3658650 0.87 HTT (0.62) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL576794 0.85 KMT2A (0.56) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL3657063 0.82 HTT (0.56) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL20968646 0.81 POLB (0.51) KMT2AMEN1ALDH1A1HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559789-A1 PROCESS FOR THE PREPARATION OF $g(a)-ALKYL LACTONES HENKEL CORPORATION (US) 1993-09-15 EP disclosed
US-5231192-A Reacting an a-acyl lactone, an aldehyde and an alkali metal hydroxide; hydrogenation HENKEL CORPORATION (US) 1993-07-27 US disclosed
WO-1992009590-A1 PROCESS FOR THE PREPARATION OF α-ALKYL LACTONES HENKEL CORPORATION (US) 1992-06-11 WO disclosed
US-4980342-A Process for the preparation of α-alkyl lactones HENKEL CORPORATION (US) 1990-12-25 US disclosed