SCHEMBL22058661

SCHEMBL22058661

CCc1ccccc1-c1cc(-c2c(F)cccc2Br)c(O)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ KCNN4 O15554 1/20 0.36
▸ ANPEP P15144 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34

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
SCHEMBL22058450 0.74 PDK2 (0.40) ALDH1A1MEN1KMT2ANPSR1PDK2
SCHEMBL17241893 0.73 MAOB (0.42) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL30832983 0.73 MAOB (0.42) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL25945211 0.72 GRM2 (0.40) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL8406789 0.72 GABRA1 (0.52) PTPN5ANPEPDPP4PDK2GABRA1
SCHEMBL8067284 0.69 GABRA1 (0.50) ALDH1A1MAPK1LMNAHSD17B10GABRA1
SCHEMBL1768187 0.69 ALDH1A1 (0.44) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL20618732 0.69 PDK2 (0.42) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL30540277 0.69 PDK2 (0.42) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL17252478 0.68 HSD17B1 (0.45) HSP90AA1ALDH1A1MEN1KMT2ALMNA

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-3660934-A1 ORGANIC LIGHT EMITTING ELEMENT CAPABLE OF DRIVING AT LOW VOLTAGE AND HAVING HIGH EFFICIENCY AND LONG LIFE CHARACTERISTICS SFC Co., Ltd. (KR) 2020-06-03 — — EP disclosed
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