SCHEMBL9855653

SCHEMBL9855653

CCOC(=O)C(CC)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CASP3 P42574 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
ALDH1A1 P00352 2/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
ACHE P22303 1/20 0.42
HTR7 P34969 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL1507996 0.83 KMT2A (0.54) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL7324913 0.82 CYP19A1 (0.49) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL7324910 0.82 CYP19A1 (0.49) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL9855514 0.81 MAPT (0.53) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL9859450 0.81 MAPT (0.53) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL10982691 0.80 ESR1 (0.53) MAPTALDH1A1CYP19A1CA12CA1
SCHEMBL9726685 0.80 MAPT (0.51) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL10982687 0.80 ESR1 (0.53) MAPTALDH1A1CYP19A1CA12CA1
SCHEMBL166220 0.79 MAPT (0.57) MAPTKMT2AMEN1LMNACYP1A2
SCHEMBL9622449 0.79 MAPT (0.50) MAPTKMT2AMEN1LMNACYP1A2

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-5011947-A Enzyme inhibitors for cholesterol biosythesis BRISTOL-MYERS (US) 1991-04-30 US disclosed