SCHEMBL542332

SCHEMBL542332

CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
USP2 O75604 1/20 0.58
MAPK1 P28482 1/20 0.58
CASP1 P29466 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
THRB P10828 2/20 0.49
THRA P10827 1/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
LIPG Q9Y5X9 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL7892842 1.00 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL10414494 1.00 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL6855044 1.00 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL7263986 1.00 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL1741013 1.00 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL2169348 1.00 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL11002455 1.00 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL10581916 1.00 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL5145456 1.00 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL905495 1.00 MEN1 (0.58) MEN1KMT2ALMNACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163598-B1 HERBICIDAL COMPOSITIONS CIBA-GEIGY AG (CH) 1989-10-04 EP claimed
CN-114450280-A Pesticidally active heterocyclic derivatives with sulphur-and sulphoxide imine substituents 先正达农作物保护股份公司 2022-05-06 CN disclosed
EP-2415727-A1 LOW-DENSITY MORTAR WITH THERMOACOUSTIC PROPERTIES Castañe Callis, Jordi (ES) 2012-02-08 EP disclosed
US-4931099-A COARSE AND FINE GRAIN ANHYDRITE, ACTIVATOR SALTS, PLASTICIZERS, SURFACTANTS AND WATER BAYER AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
US-4461641-A CHLOROTRIAZINES, CHLOROACETANILIDES, SURFACTANTS AND WATER CIBA-GEIGY CORPORATION (US) 1984-07-24 US disclosed
US-4295849-A Process for the preparation of dyestuff formulations NONN KONRAD 1981-10-20 US disclosed