SCHEMBL11080783

SCHEMBL11080783

CC1OC1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
TEAD1 P28347 2/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 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
SCHEMBL10339033 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL6258179 0.79 CA1 (0.39) SLC6A2SLC6A4TEAD1MAOB
SCHEMBL7154266 0.77 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3NPC1MAOB
SCHEMBL31707544 0.75 ACHE (0.50) SLC6A2SLC6A4SLC6A3L3MBTL1TP53
SCHEMBL19308535 0.74 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3L3MBTL1KMT2A
SCHEMBL15627282 0.74 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3L3MBTL1KMT2A
SCHEMBL20858622 0.74 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3L3MBTL1KMT2A
SCHEMBL24727287 0.73 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3L3MBTL1KMT2A
SCHEMBL83664 0.73 SLC6A4 (0.64) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL167016 0.72 L3MBTL1 (0.58) L3MBTL1KMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4447428-A BRONCHODILATOR, ANTICOAGULANTS GLAXO GROUP LIMITED (GB) 1984-05-08 US disclosed
US-4409213-A B-SIDE CHAIN ATTACHED THRU AMINO GROUP; BRONCHODILATORS, ANTICOAGUANT GLAXO GROUP LIMITED (GB) 1983-10-11 US disclosed
US-4265891-A PROSTAGLANDINS, BRONCHODILATORS, PLATELET AGGREGATION INHIBITORS GLAXO GROUP LIMITED (GB) 1981-05-05 US disclosed