SCHEMBL29137865

SCHEMBL29137865

O=C(O)CCCCCCCCCCCN1C=NCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.42
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PTGIR P43119 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
AMPD2 Q01433 1/20 0.36
AMPD3 Q01432 1/20 0.36
AMPD1 P23109 1/20 0.36
FABP4 P15090 1/20 0.36

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
SCHEMBL26547315 0.93 CYP1A2 (0.44) TBXAS1PTGS1PTGS2LMNATSHR
SCHEMBL30426268 0.91 ALDH1A1 (0.45) PTGS1PTGS2LMNATSHRCYP1A2
SCHEMBL26547331 0.88 CYP1A2 (0.41) TBXAS1PTGS1PTGS2LMNATSHR
SCHEMBL31425249 0.86 L3MBTL1 (0.35) TBXAS1CYP1A2KMT2AMEN1
SCHEMBL9740247 0.85 GLA (0.37) LMNATSHRCYP1A2MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL11622681 0.84 GLA (0.40) TBXAS1LMNACYP1A2MAPK1SMN1; SMN2
Palmitic Acid SCHEMBL30206931 0.84 KMT2A (0.47) PTGS1LMNATSHRGPR84FFAR1
Water SCHEMBL28143655 0.82 GLA (0.35) CYP1A2MAPK1SMN1; SMN2KMT2AMAPT
Water SCHEMBL28143654 0.82 GLA (0.35) CYP1A2MAPK1SMN1; SMN2KMT2AMAPT
SCHEMBL31066911 0.82 ALDH1A1 (0.38) PTGS1PTGS2LMNATSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384613-A CO (carbon monoxide) 2 High-temperature corrosion inhibitor for oil displacement and preparation method and application thereof 石河子大学 2024-01-12 CN claimed
CN-117384613-A CO (carbon monoxide) 2 High-temperature corrosion inhibitor for oil displacement and preparation method and application thereof 石河子大学 2024-01-12 CN disclosed
CN-117384613-A CO (carbon monoxide) 2 High-temperature corrosion inhibitor for oil displacement and preparation method and application thereof 石河子大学 2024-01-12 CN disclosed