SCHEMBL9776337

SCHEMBL9776337

CC(C)(C)[CH]CC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 4/20 0.32
KMT2A Q03164 2/20 0.31
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 2/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL28359152 0.77
SCHEMBL10391665 0.72
SCHEMBL6985391 0.72 KMT2A (0.33) PDE8BKMT2AALDH1A1HPGDHTT
SCHEMBL1961412 0.72
SCHEMBL3346237 0.72
SCHEMBL20124869 0.72
SCHEMBL254114 0.71 KMT2A (0.33) PDE8BKMT2AALDH1A1HPGDHTT
SCHEMBL9210236 0.70
SCHEMBL13093618 0.69 EPHX1 (0.36) KMT2AALDH1A1HPGDHTT
SCHEMBL5617622 0.69 PDE8B (0.32) PDE8BKMT2AALDH1A1HPGDHTT

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-5068246-A Plants BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed