SCHEMBL9965453

SCHEMBL9965453

CC(C)(C)CC(=O)N1CCC(C(=O)Nc2ccccc2Oc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
MGLL Q99685 2/20 0.46
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 2/20 0.45
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9965426 0.89 GAA (0.56) POLBGAAPKMKMT2AACHE
SCHEMBL10173900 0.86 PTPN1 (0.53) POLBGAAPKMKMT2AACHE
SCHEMBL641308 0.86 STS (0.55) POLBGAAPKMKMT2AACHE
SCHEMBL642196 0.86 GAA (0.56) POLBGAAPKMKMT2AACHE
SCHEMBL9965424 0.84 GAA (0.52) POLBGAAPKMKMT2AACHE
SCHEMBL9965428 0.83 GAA (0.53) POLBGAAPKMKMT2AACHE
SCHEMBL9965415 0.82 ACHE (0.68) GAAPKMKMT2AACHEBACE1
SCHEMBL10173892 0.82 GAA (0.54) POLBGAAPKMKMT2AACHE
SCHEMBL14639656 0.81 PTPN1 (0.49) POLBGAAPKMKMT2AACHE
SCHEMBL9965459 0.81 GAA (0.53) POLBGAAPKMKMT2AACHE

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
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed