SCHEMBL10740473

SCHEMBL10740473

COC(=O)CC1=C(C)C(=Cc2ccc(N)cc2)c2ccc(F)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.65
▸ RXRA P19793 5/20 0.61
▸ CYP1A2 P05177 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ PTGS2 P35354 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ EGFR P00533 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ DRD1 P21728 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ OPRM1 P35372 1/20 0.58
▸ PSEN1 P49768 1/20 0.58
▸ PSEN2 P49810 1/20 0.58
▸ APH1B Q8WW43 1/20 0.58
▸ NCSTN Q92542 1/20 0.58
▸ APH1A Q96BI3 1/20 0.58
▸ PSENEN Q9NZ42 1/20 0.58
▸ CYSLTR1 Q9Y271 1/20 0.58
▸ PTGDR2 Q9Y5Y4 1/20 0.58

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
SCHEMBL10741388 0.87 PPARG (0.86) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL10740005 0.87 CA12 (0.66) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL7632658 0.86 CYP1A2 (0.78) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL15109004 0.85 PPARG (0.60) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL20016373 0.85 PPARG (0.60) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL15108976 0.84 PPARG (0.61) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL15108975 0.84 PPARG (0.73) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL24062023 0.82 PPARG (0.57) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL8155275 0.82 PPARG (0.57) PPARGRXRACYP1A2MAPTMAPK1
SCHEMBL15120735 0.82 PPARG (0.56) PPARGRXRACYP1A2MAPTMAPK1

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
US-4656190-A PLATELET ACTIVATING FACTOR MERCK & CO., INC. (US) 1987-04-07 — — US disclosed
EP-0142801-A2 Indene derivatives useful as paf-antagonists MERCK & CO. INC. (US) 1985-05-29 — — EP disclosed
Send feedback