SCHEMBL31457129

SCHEMBL31457129

CCOOCC1CCCCCCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
LMNA P02545 1/20 0.35
FFAR1 O14842 1/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
SHBG P04278 1/20 0.32
ACHE P22303 1/20 0.31
CHRM5 P08912 2/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 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
SCHEMBL11682621 0.87 CTSL (0.41) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL13586971 0.79 TDP1 (0.38)
SCHEMBL29561243 0.78 CYP1A2 (0.50) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL60078 0.77 CYP1A2 (0.42) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL8130446 0.77 CYP1A2 (0.37) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL10447403 0.77 CYP1A2 (0.42) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL10447402 0.77 CYP1A2 (0.42) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL6301984 0.77 CYP1A2 (0.42) CYP1A2CTSLCTSBCTSKLMNA
SCHEMBL7968964 0.76 SHBG (0.37) SHBG
SCHEMBL10179083 0.76 TDP1 (0.42)

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
CN-119661332-A Synthetic method of ethoxy cyclododecyloxy methane 上海东庚化工技术有限公司 2025-03-21 CN disclosed
CN-119661332-A Synthetic method of ethoxy cyclododecyloxy methane 上海东庚化工技术有限公司 2025-03-21 CN disclosed