SCHEMBL8081978

SCHEMBL8081978

COc1ccc(Br)c(C(O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALOX15 P16050 1/20 0.48
SMAD3 P84022 3/20 0.44
P4HB P07237 4/20 0.43
TP53 P04637 2/20 0.42
GPR55 Q9Y2T6 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR1A P08908 1/20 0.42
CNR1 P21554 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL8327107 0.88 MAPT (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4816680 0.82 KMT2A (0.63) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4824905 0.79 KMT2A (0.52) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4817176 0.78 KMT2A (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL23457049 0.77 ADRA2A (0.47) KMT2AMEN1CYP2D6LMNABLM
SCHEMBL31682604 0.77 ADRA2A (0.47) KMT2AMEN1CYP2D6LMNABLM
SCHEMBL20157583 0.76 LMNA (0.46) KMT2AMEN1CYP1A2CYP2D6PTGS2
SCHEMBL30057731 0.76 AOC3 (0.47) CYP2D6LMNANPC1RAB9A
SCHEMBL20157585 0.75 LMNA (0.45) KMT2AMEN1CYP2D6ALDH1A1LMNA
SCHEMBL18113374 0.75 LMNA (0.45) KMT2AMEN1CYP2D6HTR1APTGS2

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-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed