SCHEMBL6805865

SCHEMBL6805865

CC(C)(C)COC(=O)NC(CC(=O)OC(C)(C)C)n1cnc2c(N3CCC(C(=O)O)CC3)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KMT2A Q03164 5/20 0.34
POLB P06746 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
MAPT P10636 6/20 0.33
ALDH1A1 P00352 5/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.32
MEN1 O00255 4/20 0.32
KDM4E B2RXH2 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
RXFP1 Q9HBX9 1/20 0.31
NEK2 P51955 1/20 0.31
PIK3CD O00329 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL6805973 0.92 TDP1 (0.43) TDP1KMT2APOLBMAPTALDH1A1
SCHEMBL6805979 0.89 CNR1 (0.41) TDP1CNR1CNR2KMT2AMAPT
SCHEMBL6810273 0.87 TDP1 (0.36) TDP1CNR1CNR2KMT2APOLB
SCHEMBL6806629 0.85 TDP1 (0.35) TDP1KMT2ASIRT2SIRT1SIRT3
SCHEMBL6801255 0.83 TDP1 (0.40) TDP1CNR1CNR2KMT2APOLB
SCHEMBL4640097 0.82 TDP1 (0.36) TDP1CNR1CNR2KMT2APOLB
SCHEMBL6810547 0.80 ITGB3 (0.40) TDP1CNR1CNR2
SCHEMBL6805959 0.79 ITGB3 (0.40) TDP1KMT2APOLBMAPTALDH1A1
SCHEMBL6805470 0.79 TDP1 (0.36) TDP1KMT2AMAPTMEN1RXFP1
SCHEMBL6811105 0.78 CNR1 (0.44) CNR1CNR2ALDH1A1RAB9ASMN1; SMN2

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-6723727-B1 VITRONECTIN RECEPTOR ANTAGONISTS; INHIBITORS OF BONE RESORPTION; OSTEOPOROSIS HOECHST AKTIENGESELLSCHAFT (DE) 2004-04-20 US disclosed