SCHEMBL20058290

SCHEMBL20058290

CCc1ccc(-c2cc(-c3nc4ccccc4o3)c3ccc4c(-c5ccc(C)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ HPGD P15428 7/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ MAPT P10636 4/20 0.45
▸ USP2 O75604 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PTPN5 P54829 3/20 0.43
▸ PTPN2 P17706 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ NPC1 O15118 6/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ HSD17B10 Q99714 6/20 0.42
▸ TP53 P04637 6/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ PTPN7 P35236 1/20 0.42

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
SCHEMBL2296437 0.93 KDM4E (0.51) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL12776974 0.87 KDM4E (0.57) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL12776918 0.87 KDM4E (0.57) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL12776881 0.86 HPGD (0.49) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL20058311 0.83 PPARG (0.40) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL9890961 0.82 NPC1 (0.50) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL12777060 0.82 KDM4E (0.58) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL20107154 0.82 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL12380352 0.82 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTUSP2
SCHEMBL12776893 0.81 HPGD (0.45) ALDH1A1HPGDKDM4EMAPTUSP2

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-1942171-B1 LIGHT-EMITTING DEVICE MATERIAL AND LIGHT-EMITTING DEVICE TORAY INDUSTRIES (JP) 2018-04-18 — — EP disclosed
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