SCHEMBL9658013

SCHEMBL9658013

C/C1=C/CCCCCC1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6587166 1.00 KMT2A (0.38) KMT2ACA1CA2CA4GAA
SCHEMBL6591267 0.98
Cyclohexane SCHEMBL8177759 0.93 KMT2A (0.34) KMT2ACA1CA2CA4
SCHEMBL791134 0.90
SCHEMBL717556 0.90
SCHEMBL715768 0.79
SCHEMBL6591357 0.79 KMT2A (0.37) KMT2ACA1CA2CA4
SCHEMBL6593183 0.76
SCHEMBL6587162 0.74
SCHEMBL21477509 0.73 KMT2A (0.35) KMT2ACA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145562-A Pyrrolidone derivatives PHILLIPS PETROLEUM COMPANY (US) 1992-09-08 US disclosed
US-5135617-A N-/b-hydroxyethyl/-2-pyrrolidone and/or cyclohexanol as solvent PHILLIPS PETROLEUM COMPANY (US) 1992-08-04 US disclosed
US-4233230-A Process for preparing olefins by metathesis of cyclic olefins with acyclic olefins RHONE-POULENC INDUSTRIES (FR) 1980-11-11 US disclosed