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Sugi Predict / Compounds / SCHEMBL17944243

SCHEMBL17944243

SCHEMBL17944243

CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cc5sc6ccccc6c5c5sc6ccccc6c45)c4ccccc34)ccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19082400 0.90 — —
SCHEMBL17944248 0.87 CHEK1 (0.31) PTPN1ALOX5
SCHEMBL19077514 0.87 CHEK1 (0.31) PTPN1ALOX5MAPT
SCHEMBL17944713 0.87 ALOX5 (0.32) ALOX5
SCHEMBL17944249 0.87 ALOX5 (0.35) PTPN1ALOX5ALDH1A1MAPTHPGD
SCHEMBL17944889 0.85 MAPT (0.33) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL17944393 0.85 ALOX5 (0.42) PTPN1ALOX5ALDH1A1MAPTHPGD
SCHEMBL17944973 0.85 ALDH1A1 (0.40) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL17944245 0.84 PTPN1 (0.33) PTPN1ALOX5
SCHEMBL17945549 0.84 ALOX5 (0.35) PTPN1ALOX5ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 — — US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 — — US disclosed