SCHEMBL8938040

SCHEMBL8938040

CC[C](c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
MAPT P10636 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HPGD P15428 2/20 0.52
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.47
AGTR1 P30556 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
USP2 O75604 1/20 0.46
PTPN1 P18031 1/20 0.45
GSK3B P49841 1/20 0.45
ATM Q13315 1/20 0.45
WDR5 P61964 1/20 0.45
FFAR1 O14842 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
HIF1A Q16665 1/20 0.44
CES2 O00748 1/20 0.43

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
SCHEMBL219736 0.88 ATM (0.54) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL27343182 0.85 ATM (0.52) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL9576012 0.82 CES2 (0.56) SMN1; SMN2MAPTHPGDALDH1A1RAB9A
SCHEMBL28794417 0.80 TSHR (0.61) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL6981701 0.80 ATM (0.43) SMN1; SMN2MAPTL3MBTL1ALDH1A1RAB9A
SCHEMBL11715994 0.80 CES2 (0.54) SMN1; SMN2MAPTL3MBTL1HPGDRAB9A
SCHEMBL27923092 0.77 LOXL2 (0.50) ATMCYP1A2CES2CES1ESR1
SCHEMBL8995230 0.76 SMN1; SMN2 (0.59) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL1928026 0.76 MAPT (1.00) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1
SCHEMBL13267783 0.76 MAPT (1.00) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1

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-5508273-A ARALKYLPHOSPHONATES FOR OSTEOPOROSIS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-04-16 US disclosed