SCHEMBL10339708

SCHEMBL10339708

CCCCCSC1CCO1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TBXA2R P21731 1/20 0.31

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
SCHEMBL4560011 0.82
SCHEMBL4758733 0.77 EPHX1 (0.32) EPHX1
SCHEMBL11366035 0.75 CYP1A2 (0.35) EPHX1CYP1A2
SCHEMBL11356603 0.74
SCHEMBL11810128 0.72
SCHEMBL15271904 0.70 THRB (0.40) EPHX1ALDH1A1TDP1TBXA2R
SCHEMBL15270730 0.70 THRB (0.40) EPHX1ALDH1A1TDP1TBXA2R
SCHEMBL15271476 0.70 THRB (0.40) EPHX1ALDH1A1TDP1TBXA2R
SCHEMBL16413053 0.70 THRB (0.40) EPHX1ALDH1A1TDP1TBXA2R
SCHEMBL15271194 0.70 THRB (0.40) EPHX1ALDH1A1TDP1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2237986-A None JP disclosed
JP-H02237986-A PRODUCTION OF ESSENTIAL INTERMEDIATE FOR SYNTHESIS OF OXETANOCIN NOGUCHI KENKYUSHO 1990-09-20 JP disclosed