SCHEMBL20003407

SCHEMBL20003407

CC(O)COc1ccc(CCl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.62
▸ ADRB2 P07550 4/20 0.44
▸ ADRB1 P08588 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ ADRB3 P13945 2/20 0.43
▸ NR3C1 P04150 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL5949941 0.87 LMNA (0.78) LMNAADRB2ADRB1TDP1ADRA1A
SCHEMBL3627817 0.86 LMNA (0.64) LMNAADRB2ADRB1TDP1ADRA1A
SCHEMBL1628642 0.84 LMNA (0.62) LMNAADRB2ADRB1TDP1ADRA1A
SCHEMBL9721341 0.84 LMNA (0.62) LMNAADRB2ADRB1TDP1ADRA1A
SCHEMBL4527180 0.83 MAPT (0.50) LMNAKDM4ETSHRMAPTPOLB
SCHEMBL7787463 0.82 LMNA (0.60) LMNAADRB2ADRB1TDP1ADRA1A
SCHEMBL15011707 0.82 LMNA (0.64) LMNACYP1A2MAPK1MEN1KMT2A
SCHEMBL1496666 0.82 LMNA (0.64) LMNACYP1A2MAPK1MEN1KMT2A
SCHEMBL8348164 0.81 LMNA (0.58) LMNAADRB2ADRB1ADRA1AADRB3
SCHEMBL11753634 0.80 MAOB (0.58) LMNAPOLBNPSR1MAPK1MEN1

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-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 — — US disclosed
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