SCHEMBL9053520

SCHEMBL9053520

CCOC(=O)C(F)(F)COC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 3/20 0.33
CREBBP Q92793 1/20 0.32
HIF1A Q16665 1/20 0.32
TP53 P04637 2/20 0.32
CYP2C19 P33261 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3074618 0.85 MEN1 (0.39) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL11114764 0.77 MEN1 (0.42) KMT2AMEN1ALDH1A1CREBBPTP53
SCHEMBL186143 0.77 MEN1 (0.36) KMT2AMEN1ALDH1A1TP53CYP2C19
SCHEMBL374442 0.76 KMT2A (0.44) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL30974564 0.76 MEN1 (0.33) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL3283171 0.76 MEN1 (0.35) KMT2AMEN1
SCHEMBL11110959 0.75 MEN1 (0.41) KMT2AMEN1POLBALDH1A1CREBBP
SCHEMBL12336899 0.75 MEN1 (0.41) KMT2AMEN1POLBALDH1A1CREBBP
SCHEMBL15106012 0.75 POLB (0.36) KMT2APOLBALDH1A1MAPTCNR1
SCHEMBL3609772 0.75 CYP4F2 (0.41) KMT2AMEN1ALDH1A1TP53CYP2C19

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-0472181-B1 5-Amine substituted adenosine analogs as immunosuppressants MERRELL PHARMA INC (US) 1996-10-02 EP disclosed
US-5416076-A S-adenosyl methionine decarboxylase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1995-05-16 US disclosed
US-5308837-A 5'-amine substituted adenosine analogs as immunosuppressants MERRELL DOW PHARMACEUTICALS INC. (US) 1994-05-03 US disclosed
EP-0472181-A2 5-Amine substituted adenosine analogs as immunosuppressants MERRELL PHARMACEUTICALS INC. (US) 1992-02-26 EP disclosed
EP-0358536-A2 Novel S-adenosyl methionine decarboxylase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1990-03-14 EP disclosed
EP-0351475-A1 S-Adenosylmethionine decarboxylase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-24 EP disclosed