SCHEMBL15057193

SCHEMBL15057193

CC(C)COc1ccc(OCC(F)F)cc1Cn1ncc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.40
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ PTGER1 P34995 6/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ NPBWR1 P48145 2/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ FOS P01100 2/20 0.33
▸ JUN P05412 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL15057589 0.84 PLA2G4A (0.42) PTGER1FOSJUN
SCHEMBL20628633 0.83 RECQL (0.43) RECQLRAB9APTGER1TLR8ADRA2A
SCHEMBL15057921 0.82 FOS (0.38) PTGER1FOSJUN
SCHEMBL20628871 0.81 FOS (0.37) PTGER1FOSJUN
SCHEMBL20629090 0.75 FOS (0.37) PTGER1FOSJUN
SCHEMBL15057775 0.75 PLA2G4A (0.43) PTGER1FOSJUN
SCHEMBL20629004 0.73 PLA2G4A (0.42) PTGER1FOSJUN
SCHEMBL15057507 0.73 EPHX2 (0.38) PTGER1FOSJUN
SCHEMBL22728618 0.73 PTGER1 (0.39) PTGER1
SCHEMBL20628807 0.71 PTGER1 (0.37) PTGER1HTR2AHTR2CHTR2BADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794561-A2 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2014-10-29 — — EP disclosed
WO-2013096496-A2 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2013-06-27 — — WO disclosed
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