SCHEMBL29797124

SCHEMBL29797124

Cc1cc(OC(=O)c2ccc(OCCCCCCS)cc2)ccc1OC(=O)c1ccc(OCCCCCCS)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL27331262 0.99 MAPT (0.48) NPC1LMNAMAPTNFKB1NFKB2
SCHEMBL13531263 0.89 NPC1 (0.48) NPC1LMNAMAPTNFKB1NFKB2
SCHEMBL14016039 0.89 NPC1 (0.61) NPC1LMNAMAPTNFKB1NFKB2
SCHEMBL22435487 0.89 LMNA (0.48) NPC1LMNAMAPTNFKB1NFKB2
SCHEMBL224296 0.89 NPC1 (0.48) NPC1LMNAMAPTNFKB1NFKB2
SCHEMBL1531820 0.89 NPC1 (0.48) NPC1LMNAMAPTNFKB1NFKB2
SCHEMBL3262827 0.89 NPC1 (0.48) NPC1LMNAMAPTNFKB1NFKB2
SCHEMBL22341181 0.89 NPC1 (0.61) NPC1LMNAMAPTNFKB1NFKB2
SCHEMBL13496758 0.85 HTT (0.59) NPC1LMNAMAPTNFKB1NFKB2
SCHEMBL18965786 0.85 LMNA (0.46) NPC1LMNAMAPTNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12241013-B2 Mechanotropic elastomers THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-03-04 US claimed
EP-4743519-A1 LIQUID CRYSTAL ELASTOMER ADHESIVE AND ARTICLES INCLUDING THE SAME 3M Innovative Properties Company (US) 2026-05-20 EP disclosed
US-12241013-B2 Mechanotropic elastomers THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-03-04 US disclosed
WO-2025019325-A1 LIQUID CRYSTAL ELASTOMER ADHESIVE AND ARTICLES INCLUDING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2025-01-23 WO disclosed
US-20220235269-A1 MECHANOTROPIC ELASTOMERS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2022-07-28 US disclosed