SCHEMBL7265902

SCHEMBL7265902

O=C([N]OC1CCCCC1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ELANE P08246 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
HPGD P15428 1/20 0.41
MCL1 Q07820 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMO O15229 1/20 0.39
MMP1 P03956 1/20 0.39

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
SCHEMBL28004823 0.79 LMNA (0.42) POLBELANEMEN1KMT2ALMNA
SCHEMBL31139240 0.73 MEN1 (0.63) MEN1KMT2ALMNASCN1ASCN2A
SCHEMBL8396555 0.73 MCL1 (0.43) POLBELANEMEN1KMT2AALDH1A1
SCHEMBL11592049 0.73 MEN1 (0.63) MEN1KMT2ALMNASCN1ASCN2A
SCHEMBL60478 0.73 MEN1 (0.63) MEN1KMT2ALMNASCN1ASCN2A
SCHEMBL5168305 0.73 MCL1 (0.43) POLBELANEMEN1KMT2AALDH1A1
SCHEMBL8394538 0.73 MCL1 (0.43) POLBELANEMEN1KMT2AALDH1A1
SCHEMBL14720174 0.73 MEN1 (0.63) MEN1KMT2ALMNASCN1ASCN2A
Ammonia Solution, Strong SCHEMBL597060 0.71 MEN1 (0.61) MEN1KMT2ALMNACYP1A2CYP2D6
SCHEMBL1926317 0.71 MEN1 (0.65) POLBMEN1KMT2ALMNASCN1A

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
WO-2003080564-A1 MENTHOL SUBSTITUTED ANTITHROMBOTIC PAI-1 INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO claimed
WO-2003080564-A1 MENTHOL SUBSTITUTED ANTITHROMBOTIC PAI-1 INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed