SCHEMBL8896514

SCHEMBL8896514

C[Sn](C)(C)c1ccc2c(c1)-c1ccc(CO)cc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHEK1 O14757 1/20 0.43
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ESR1 P03372 1/20 0.35
UGT1A1 P22309 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 1/20 0.34
EPHX2 P34913 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.33
TERT O14746 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL9423285 0.97 CHEK1 (0.45) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL3160291 0.81 ALDH1A1 (0.55) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL9849269 0.78 ELANE (0.53) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL6254969 0.78 NPC1 (0.63) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL9423354 0.78 CHEK1 (0.65) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL29117498 0.76 ELANE (0.55) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL30021053 0.76 NPC1 (0.66) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL41511 0.76 NPC1 (0.66) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL8893419 0.76 BCL2 (0.58) MAPTNPC1RAB9AALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL27784024 0.74 NPC1 (0.63) MAPTNPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997004770-A1 2-(FLUORENONYL)-CARBAPENEMS, COMPOSITIONS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-13 WO disclosed
US-5541177-A BACTERICIDES MERCK & CO., INC. (US) 1996-07-30 US disclosed
US-5534507-A BACTERIA INFECTIONS MERCK & CO., INC. (US) 1996-07-09 US disclosed
US-5455239-A Cephalosporin antibiotics MERCK & CO. INC. (US) 1995-10-03 US disclosed
US-5451579-A 1-β-methyl-carbapenem, compositions containing same and methods of use MERCK & CO., INC. (US) 1995-09-19 US disclosed
WO-1995021841-A1 1-β-METHYL-CARBAPENEM, COMPOSITIONS CONTAINING SAME AND METHODS OF USE MERCK & CO., INC. (US) 1995-08-17 WO disclosed
US-5356889-A Carbapenicillins MERCK & CO., INC. (US) 1994-10-18 US disclosed
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0472306-A1 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-02-26 EP disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5034384-A Bactericides, antibiotics for resistant bacteria MERCK & CO., INC. (US) 1991-07-23 US disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed