SCHEMBL6805973

SCHEMBL6805973

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 7/20 0.35
ALDH1A1 P00352 6/20 0.35
RXFP1 Q9HBX9 1/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 2/20 0.34
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 3/20 0.33
NEK2 P51955 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
UBE2N P61088 1/20 0.32

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
SCHEMBL6811105 0.85 CNR1 (0.44) ALDH1A1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6805470 0.84 TDP1 (0.36) TDP1KMT2AMAPTRXFP1THRB
SCHEMBL6805959 0.82 ITGB3 (0.40) TDP1KMT2APOLBMAPTALDH1A1
SCHEMBL6805979 0.81 CNR1 (0.41) TDP1KMT2AMAPTALDH1A1RAB9A
SCHEMBL4640097 0.80 TDP1 (0.36) TDP1KMT2APOLBMAPTALDH1A1
SCHEMBL6810273 0.79 TDP1 (0.36) TDP1KMT2APOLBMAPTALDH1A1
SCHEMBL6807718 0.77 NEK2 (0.44) TDP1KMT2APOLBMAPTALDH1A1
SCHEMBL6801255 0.75 TDP1 (0.40) TDP1KMT2APOLBMAPTALDH1A1
SCHEMBL27446404 0.75 TDP1 (0.40) TDP1KMT2APOLBMAPTALDH1A1
SCHEMBL6810547 0.72 ITGB3 (0.40) TDP1

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