SCHEMBL27977121

SCHEMBL27977121

CCOc1cccc(CC(O)(c2ccccc2)c2ccccc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAOB P27338 1/20 0.40
▸ DHFR P00374 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GGPS1 O95749 1/20 0.39
▸ CETP P11597 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ ACSS2 Q9NR19 2/20 0.37
▸ FAAH O00519 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ MEF2D Q14814 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36

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
SCHEMBL27977126 0.88 ALDH1A1 (0.45) CYP3A4MAOBSMN1; SMN2KIF11L3MBTL1
SCHEMBL27977085 0.79 MEN1 (0.45) SMN1; SMN2LMNAPPARGPPARA
SCHEMBL27977390 0.76 MEN1 (0.40) CYP3A4SMN1; SMN2KIF11L3MBTL1LMNA
SCHEMBL11623430 0.72 HTR2A (0.44) SMN1; SMN2
SCHEMBL12775724 0.69 TP53 (0.56) TP53CYP3A4DHFRSMN1; SMN2GGPS1
SCHEMBL14288446 0.69 SIGMAR1 (0.49) SMN1; SMN2LMNAMAPK1
SCHEMBL12251457 0.68 L3MBTL1 (0.49) TP53CYP3A4SMN1; SMN2CETPACSS2
3-(Benzyloxy)Aniline SCHEMBL7831693 0.67 MAOB (0.84) TP53CYP3A4MAOBSMN1; SMN2ALOX5
SCHEMBL12257812 0.67 GGPS1 (0.76) TP53CYP3A4SMN1; SMN2GGPS1
SCHEMBL10069982 0.67 LMNA (0.65) CYP3A4MAOBSMN1; SMN2L3MBTL1LMNA

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
CN-104140441-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 — — CN disclosed
CN-104140448-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 — — CN disclosed
CN-104140442-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 — — CN disclosed
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