SCHEMBL28683258

SCHEMBL28683258

CCCCCCCCCCC(CC)CC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 2/20 0.45
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38

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
SCHEMBL8351983 1.00 LMNA (0.46) LMNATSHRALDH1A1CYP3A4ADH1B
SCHEMBL8396490 1.00 LMNA (0.46) LMNATSHRALDH1A1CYP3A4ADH1B
SCHEMBL30646658 1.00 LMNA (0.46) LMNATSHRALDH1A1CYP3A4ADH1B
SCHEMBL9262127 1.00 LMNA (0.46) LMNATSHRALDH1A1CYP3A4ADH1B
SCHEMBL444299 0.98 TSHR (0.46) LMNATSHRALDH1A1CYP3A4ADH1B
SCHEMBL16023957 0.91 LMNA (0.50) LMNATSHRADH1BADH1CADH1A
SCHEMBL5075482 0.91 LMNA (0.50) LMNATSHRADH1BADH1CADH1A
SCHEMBL2103084 0.91 LMNA (0.50) LMNATSHRADH1BADH1CADH1A
SCHEMBL22465774 0.91 LMNA (0.50) LMNATSHRADH1BADH1CADH1A
SCHEMBL5080046 0.91 LMNA (0.50) LMNATSHRADH1BADH1CADH1A

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-114058173-A Process and composition for producing flexible polyurethane foams 赢创运营有限公司 2022-02-18 CN claimed