SCHEMBL23827552

SCHEMBL23827552

CCC1OC1CCCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
EPHX1 P07099 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SPHK1 Q9NYA1 4/20 0.31
SPHK2 Q9NRA0 3/20 0.31
TDP1 Q9NUW8 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
SCHEMBL13356243 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1
SCHEMBL8497801 0.81 ALDH1A1 (0.79) ALDH1A1EPHX1SMN1; SMN2SPHK1SPHK2
SCHEMBL8219750 0.81 ALDH1A1 (0.79) ALDH1A1EPHX1SMN1; SMN2SPHK1SPHK2
SCHEMBL28609241 0.81 ALDH1A1 (0.79) ALDH1A1EPHX1SMN1; SMN2SPHK1SPHK2
SCHEMBL12335528 0.81 ALDH1A1 (0.79) ALDH1A1EPHX1SMN1; SMN2SPHK1SPHK2
SCHEMBL9294130 0.81 ALDH1A1 (0.79) ALDH1A1EPHX1SMN1; SMN2SPHK1SPHK2
SCHEMBL8497659 0.81 ALDH1A1 (0.79) ALDH1A1EPHX1SMN1; SMN2SPHK1SPHK2
SCHEMBL12290729 0.81 ALDH1A1 (0.79) ALDH1A1EPHX1SMN1; SMN2SPHK1SPHK2
SCHEMBL11270777 0.81 ALDH1A1 (0.43) ALDH1A1
SCHEMBL4455644 0.80 ALDH1A1 (0.41) ALDH1A1

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-20210292468-A1 SILICONE-FREE FOAM STABILIZERS FOR PRODUCING POLYURETHANE FOAMS BASF SE (DE) 2021-09-23 US disclosed