SCHEMBL8799400

SCHEMBL8799400

CC(C)(C=O)Oc1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PPARG P37231 1/20 0.39
HSD11B1 P28845 2/20 0.38
SLC22A12 Q96S37 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
NFKB1 P19838 1/20 0.36
SSTR4 P31391 2/20 0.36
NFE2L2 Q16236 2/20 0.35
SSTR1 P30872 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9161422 0.79 KMT2A (0.38) SSTR4NFE2L2MEN1KMT2A
SCHEMBL13020168 0.78 HSD11B1 (0.42) MAOBRXRARXRBRXRGPPARG
SCHEMBL9034308 0.77 CA1 (0.52) ADRA2BNFE2L2KMT2A
SCHEMBL9033969 0.77 NPSR1 (0.39) RXRARXRBRXRGMEN1KMT2A
SCHEMBL1996546 0.75 PPARG (0.41) MAOBRXRARXRBRXRGPPARG
SCHEMBL9242571 0.73 HSD11B1 (0.53) RXRARXRBRXRGPPARGHSD11B1
SCHEMBL3417543 0.73 ERN1 (0.43) HSD11B1
SCHEMBL28460446 0.73 ADRB2 (0.41)
SCHEMBL1044701 0.73 KDM4E (0.58) MAOBRXRARXRBRXRGPPARG
SCHEMBL9034506 0.73 ADRA2A (0.38) HSD11B1ADRA2AADRA2BADRA2CNFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0482771-B1 Heterocyclic acids ZENECA LTD (GB) 1997-06-18 EP disclosed
US-5410064-A Thromboxane A2 antagonists and inhibitors of thromboxane A2 synthase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-25 US disclosed
US-5219874-A Heterocyclic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
EP-0482771-A2 Heterocyclic acids ZENECA LIMITED (GB) 1992-04-29 EP disclosed