SCHEMBL24622845

SCHEMBL24622845

C1CCC(CCCCC2CO2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
SIGMAR1 Q99720 4/20 0.48
CYP1A2 P05177 1/20 0.46
EPHX1 P07099 2/20 0.38
TSHR P16473 1/20 0.36
CEL P19835 1/20 0.35
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
NAAA Q02083 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL23135362 0.98 ALDH1A1 (0.54) ALDH1A1SIGMAR1CYP1A2EPHX1KDM5A
SCHEMBL903655 0.93 CYP1A2 (0.50) ALDH1A1SIGMAR1CYP1A2EPHX1TSHR
SCHEMBL11020571 0.93 CYP1A2 (0.50) ALDH1A1SIGMAR1CYP1A2EPHX1TSHR
SCHEMBL433045 0.90 ALDH1A1 (0.54) ALDH1A1SIGMAR1CYP1A2EPHX1TSHR
SCHEMBL13398798 0.87 ALDH1A1 (0.58) ALDH1A1SIGMAR1CYP1A2EPHX1TSHR
SCHEMBL12376981 0.87 ALDH1A1 (0.58) ALDH1A1SIGMAR1CYP1A2EPHX1TSHR
SCHEMBL17145417 0.84
SCHEMBL3238487 0.82 CYP1A2 (0.42) ALDH1A1SIGMAR1CYP1A2TSHR
SCHEMBL1499255 0.82 CYP1A2 (0.42) ALDH1A1SIGMAR1CYP1A2TSHR
SCHEMBL5340594 0.81 ALDH1A1 (0.68) ALDH1A1EPHX1TSHR

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-20220220030-A1 GLASS COMPOSITE MATERIAL AND METHOD FOR PRODUCING SCHOTT AG (DE) 2022-07-14 US disclosed