SCHEMBL22005386

SCHEMBL22005386

COC(=O)c1ccccc1-c1cccc2c3c(oc12)CCC=C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ SLC6A3 Q01959 4/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ TOP2A P11388 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CFTR P13569 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL19774227 0.84 KMT2A (0.35) ALDH1A1KDM4EPTPRCSLC6A3KMT2A
SCHEMBL24896043 0.83 HTT (0.40) ALDH1A1KDM4EPTPRCSLC6A3SLC6A4
SCHEMBL17227136 0.82 KDM4E (0.39) ALDH1A1KDM4EPTPRCSLC6A3SLC6A4
SCHEMBL4554338 0.76 ALOX5 (0.50) ALDH1A1KDM4ESLC6A3SLC6A4KMT2A
SCHEMBL21784249 0.75 PRKDC (0.39) ALDH1A1KDM4EHSD17B10TSHRSMN1; SMN2
SCHEMBL24862845 0.75 HTT (0.40) ALDH1A1KDM4EPTPRCSLC6A3KMT2A
SCHEMBL17227335 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EPTPRCKMT2AHSD17B10
SCHEMBL18539206 0.72 SLC6A3 (0.59) ALDH1A1KDM4EPTPRCSLC6A3SLC6A4
SCHEMBL25742319 0.71 MAOA (0.48) ALDH1A1KDM4ESLC6A3SLC6A4KMT2A
SCHEMBL21936571 0.71 ALDH1A1 (0.33) ALDH1A1KDM4EKMT2AHSD17B10ATM

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-3654395-A1 ORGANIC LIGHT EMITTING DIODE HAVING HIGH EFFICIENCY SFC Co., Ltd. (KR) 2020-05-20 — — EP disclosed
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