SCHEMBL10539733

SCHEMBL10539733

COc1cc(C(=O)O)ccc1NC(=O)NC1CC2CCC(C1)N2C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 3/20 0.49
PYGL P06737 4/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTR4 Q13639 1/20 0.47

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
SCHEMBL10541801 0.92 KMT2A (0.50) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL10542037 0.91 CYP2D6 (0.55) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL10537786 0.86 MAPT (0.67) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL10540683 0.85 MAPT (0.55) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL10542205 0.83 POLB (0.60) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL10541780 0.83 CYP2D6 (0.54) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL10542188 0.81 PYGL (0.48) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL10540768 0.81 KMT2A (0.47) MAPTKDM4EALDH1A1LMNAPOLB
SCHEMBL10540979 0.81 TSHR (0.59) MAPTALDH1A1KMT2AMEN1
SCHEMBL10539974 0.81 MAPT (0.56) MAPTALDH1A1POLBKMT2AMEN1

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-4797387-A ANALGESICS, ANTIEMETICS BEECHAM GROUP, P.L.C. (GB) 1989-01-10 US disclosed