Sugi Predict

Sugi Predict / Compounds / SCHEMBL9348761

SCHEMBL9348761

SCHEMBL9348761

CCCC[C@H]1CC[C@@H](C2CCC(c3cc(C)c(Oc4ccc(N)cc4)c(C)c3)(c3cc(C)c(Oc4ccc(N)cc4)c(C)c3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL9348768 1.00 NFE2L2 (0.32) NFE2L2ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL9352472 1.00 NFE2L2 (0.32) NFE2L2ALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL9352335 0.97 NFE2L2 (0.31) NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL9352200 0.97 NFE2L2 (0.31) NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL9352210 0.97 NFE2L2 (0.31) NFE2L2ALDH1A1SMN1; SMN2
SCHEMBL9348536 0.96 GRM2 (0.32) NFE2L2
SCHEMBL9348495 0.96 GRM2 (0.32) NFE2L2
SCHEMBL9348486 0.96 GRM2 (0.32) NFE2L2
SCHEMBL9352569 0.96 GRM2 (0.32) NFE2L2
SCHEMBL9348607 0.96 GRM2 (0.32) NFE2L2

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
EP-0389092-B1 Liquid crystal-aligning coating and liquid crystal element CHISSO CORP (JP) 1994-09-07 — — EP disclosed
US-5152918-A Cyclohexyl aromatic polyimides; controlling pretilt angle CHISSO CORPORATION (JP) 1992-10-06 — — US disclosed