SCHEMBL9802086

SCHEMBL9802086

Cc1cccc(C2OC2C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTR2C P28335 3/20 0.40
ACHE P22303 1/20 0.39
CYP19A1 P11511 1/20 0.38
HDAC4 P56524 1/20 0.37
SLC5A2 P31639 3/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPC1 O15118 1/20 0.37
HPN P05981 1/20 0.37
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PBRM1 Q86U86 1/20 0.36
HSD11B1 P28845 2/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL9378737 1.00 KMT2A (0.41) KMT2AMEN1HTR2CACHECYP19A1
SCHEMBL9380409 0.83 MEN1 (0.37) KMT2AMEN1HTR2CACHECYP19A1
SCHEMBL9378128 0.83 MEN1 (0.37) KMT2AMEN1HTR2CACHECYP19A1
SCHEMBL9802330 0.79 MEN1 (0.38) KMT2AMEN1ACHECYP19A1HDAC4
SCHEMBL30967867 0.78 FAAH (0.31)
SCHEMBL10034792 0.76 EPHX1 (0.41) KMT2AMEN1HTR2BLMNAMAPT
SCHEMBL6109677 0.76 EPHX1 (0.41) KMT2AMEN1HTR2BLMNAMAPT
SCHEMBL5301553 0.76 EPHX1 (0.41) KMT2AMEN1HTR2BLMNAMAPT
SCHEMBL10400049 0.76 EPHX1 (0.41) KMT2AMEN1HTR2BLMNAMAPT
SCHEMBL5852622 0.74 ACHE (0.48) KMT2AMEN1HTR2CACHECYP19A1

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
EP-0228045-B1 AROMATIC THIOETHERS CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4785004-A ANTIALLERGENS, ANTIHISTAMINES CIBA-GEIGY CORPORATION (US) 1988-11-15 US disclosed
EP-0228045-A2 Aromatic thioethers CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed