SCHEMBL14019342

SCHEMBL14019342

CCCCC1Cc2cc(C)ccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 7/20 0.61
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
ACHE P22303 4/20 0.43
SIGMAR1 Q99720 1/20 0.39
CYP19A1 P11511 2/20 0.39
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL2424817 0.81 METAP1 (0.65) METAP1THRATHRBACHECYP19A1
SCHEMBL6280170 0.81 METAP1 (0.72) METAP1THRATHRBACHESIGMAR1
SCHEMBL18052663 0.80 THRA (0.53) METAP1THRATHRBCYP19A1
SCHEMBL1853465 0.80 ACHE (0.63) METAP1ACHECYP19A1HTR1AHTR2A
SCHEMBL15617637 0.80 METAP1 (0.66) METAP1THRATHRBACHECYP19A1
SCHEMBL29130764 0.77 METAP1 (0.64) METAP1THRATHRBCYP19A1
SCHEMBL4858831 0.77 THRA (0.58) METAP1THRATHRBACHECYP19A1
SCHEMBL5343888 0.77 BAZ2B (0.47) THRATHRBHTR1AHTR2C
SCHEMBL4856956 0.76 THRA (0.41) METAP1THRATHRBACHECYP19A1
SCHEMBL11803298 0.76 SIRT2 (0.41) METAP1ACHE

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-7432284-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2008-10-07 US disclosed