SCHEMBL11484688

SCHEMBL11484688

CCOC(=O)CCCc1ccc(-n2ccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.68
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
MITF O75030 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP3A4 P08684 4/20 0.50
CYP2D6 P10635 4/20 0.50
CYP2C9 P11712 4/20 0.50
FAAH O00519 1/20 0.49
MAOB P27338 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP19A1 P11511 1/20 0.48
HTT P42858 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
CYP4Z1 Q86W10 2/20 0.47
CYP4F11 Q9HBI6 1/20 0.47

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
SCHEMBL11477037 0.86 TBXAS1 (0.50) TBXAS1KDM4EMEN1MITFALDH1A1
SCHEMBL7404987 0.84 MAPT (0.63) TBXAS1KDM4EMEN1MITFALDH1A1
SCHEMBL11477428 0.82 TBXAS1 (0.67) TBXAS1MEN1ALDH1A1KMT2ACYP3A4
SCHEMBL11479530 0.82 GLS (0.49) TBXAS1KDM4EMEN1MITFALDH1A1
SCHEMBL11479727 0.81 TBXAS1 (1.00) TBXAS1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL29239308 0.79 TBXAS1 (0.62) TBXAS1ALDH1A1CYP19A1
SCHEMBL18746522 0.78 CYP2D6 (0.71) TBXAS1KDM4EMEN1MITFALDH1A1
SCHEMBL28108298 0.78 CYP3A4 (0.65) TBXAS1MEN1MAPTKMT2ACYP3A4
SCHEMBL27469498 0.78 ALOX5 (0.56) TBXAS1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5089219 0.77 HTT (0.60) KDM4EMEN1MITFALDH1A1MAPT

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
US-4226878-A ANTIINFLAMMATORY, HYPOTENSIVES, ANTIHISTAMINES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1980-10-07 US disclosed