SCHEMBL8489374

SCHEMBL8489374

O=C(CC(=O)C1CC1)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
LIPC P11150 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AVPR2 P30518 1/20 0.39
GPR27 Q9NS67 1/20 0.39
CFTR P13569 1/20 0.38
POLQ O75417 2/20 0.38

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
SCHEMBL8191987 0.86 L3MBTL1 (0.43) CES2KMT2AHPGD
SCHEMBL8815743 0.86 LIPC (0.42) CES2MEN1TSHRKMT2ALIPC
SCHEMBL8524590 0.86 MEN1 (0.46) CES2MEN1TSHRKMT2ALIPC
SCHEMBL8489200 0.84 KDM4E (0.44) CES2MEN1TSHRKMT2ALIPC
SCHEMBL8488889 0.84 KDM4E (0.44) KMT2AFLT1FLT4KDRMAPT
SCHEMBL5842222 0.82 LIPC (0.40) CES2MEN1TSHRKMT2ALIPC
SCHEMBL28735055 0.82 CES2 (0.38) CES2MEN1TSHRKMT2AFLT1
SCHEMBL29391001 0.81 SLC6A9 (0.41) CES2MEN1TSHRKMT2ALIPC
SCHEMBL5842219 0.81 LIPC (0.39) CES2MEN1TSHRKMT2ALIPC
SCHEMBL6751338 0.81 SLC6A9 (0.41) CES2MEN1TSHRKMT2ALIPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed