SCHEMBL22665374

SCHEMBL22665374

CC/C=C(\CCC)N(CC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 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
SCHEMBL5595921 0.73 TP53 (0.79) ALDH1A1TSHRGLATP53MEN1
SCHEMBL11142657 0.70 ALDH1A1 (0.61) ALDH1A1TSHRGLATP53L3MBTL1
SCHEMBL12411241 0.69 TP53 (0.44) ALDH1A1TSHRGLATP53L3MBTL1
SCHEMBL12411240 0.69 FAAH (0.41) ALDH1A1TSHRGLAL3MBTL1KMT2A
SCHEMBL24713803 0.69 ALDH1A1 (0.50) ALDH1A1TSHRGLATP53L3MBTL1
SCHEMBL22687775 0.69 ALDH1A1 (0.38) ALDH1A1TSHRGLASMN1; SMN2HTT
SCHEMBL22762684 0.68 OXTR (0.37) ALDH1A1TSHRGLATP53MAPT
SCHEMBL28309294 0.68 ALDH1A1 (0.49) ALDH1A1TSHRGLATP53L3MBTL1
SCHEMBL4603063 0.67 ALDH1A1 (0.63) ALDH1A1TSHRGLATP53L3MBTL1
SCHEMBL380050 0.67 ALDH1A1 (0.76) ALDH1A1TSHRGLATP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3739645-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2020-11-18 — — EP disclosed
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