SCHEMBL29655226

SCHEMBL29655226

Oc1cccc(N(CC2CO2)CC2CO2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.40
OPRD1 P41143 6/20 0.37
OPRK1 P41145 6/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
OPRM1 P35372 5/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HTR7 P34969 2/20 0.35

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
SCHEMBL17480430 0.87 LMNA (0.45) ALDH1A1CYP3A4TSHRLMNAPOLB
SCHEMBL156988 0.87 LMNA (0.45) ALDH1A1CYP3A4TSHRLMNAPOLB
SCHEMBL1645484 0.79 LMNA (0.40) ALDH1A1CYP3A4TSHRLMNAPOLB
SCHEMBL6229306 0.79 LMNA (0.40) ALDH1A1CYP3A4TSHRLMNAPOLB
SCHEMBL1643625 0.79 MEN1 (0.41) ALDH1A1CYP3A4TSHRLMNAPOLB
SCHEMBL24282250 0.79 TAAR1 (0.46) ALDH1A1CYP3A4TSHRLMNAPOLB
SCHEMBL18473404 0.79 HCRTR2 (0.41) ALDH1A1CYP3A4TSHRLMNAPOLB
SCHEMBL17744812 0.79 LMNA (0.40) ALDH1A1CYP3A4TSHRLMNAPOLB
SCHEMBL13043419 0.78 MEN1 (0.38) ALDH1A1CYP3A4LMNAOPRD1OPRK1
SCHEMBL9419594 0.78 MEN1 (0.38) ALDH1A1CYP3A4LMNAOPRD1OPRK1

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
CN-109680505-B Surface modified aramid fiber and surface modification method and application thereof 中国石油化工股份有限公司 2022-05-27 CN disclosed