SCHEMBL28101021

SCHEMBL28101021

O=C(OCc1ccccc1)C1CC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 2/20 0.55
FABP5 Q01469 2/20 0.55
MAPK1 P28482 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 5/20 0.51
KDM1A O60341 2/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
HDAC4 P56524 1/20 0.50
RCOR1 Q9UKL0 1/20 0.49
F2 P00734 1/20 0.48
TSHR P16473 1/20 0.48
HTR2C P28335 1/20 0.48
DEGS1 O15121 1/20 0.47
SLC9A1 P19634 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL10267696 0.92 KDM1A (0.50) FABP7FABP5MAPK1TDP1SMN1; SMN2
SCHEMBL15248901 0.92 KDM1A (0.50) FABP7FABP5MAPK1TDP1SMN1; SMN2
SCHEMBL15687569 0.89 MAOB (0.52) KDM1AMAOAMAOBSLC6A2SLC6A3
SCHEMBL23518769 0.84 FABP7 (0.63) FABP7FABP5MAPK1TDP1ALDH1A1
SCHEMBL1838935 0.83 ALDH1A1 (0.55) FABP7FABP5MAPK1TDP1SMN1; SMN2
SCHEMBL1838938 0.83 ALDH1A1 (0.55) FABP7FABP5MAPK1TDP1SMN1; SMN2
SCHEMBL4135351 0.82 MAPT (0.62) MAPK1TDP1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL928888 0.82 MAPT (0.62) MAPK1TDP1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL4129635 0.82 MAPT (0.62) MAPK1TDP1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL12706756 0.82 MAPT (0.62) MAPK1TDP1SMN1; SMN2ALDH1A1HDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103826661-B Novel binding agent-drug conjugates (ADCs) and uses thereof 西雅图基因公司 2019-03-05 CN disclosed
CN-106117312-A New bonding agent drug conjugate (ADC) and application thereof 西雅图基因公司 2016-11-16 CN disclosed