SCHEMBL11678375

SCHEMBL11678375

O=C1C(C2CCCCC2)=CC(=Cc2cc(C3CCCCC3)c(O)c(C3CCCCC3)c2)C=C1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ PTPRF P10586 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL11678645 0.85 CYP2C9 (0.38) KDM4EMEN1MAPTKMT2APTPN1
SCHEMBL5665278 0.71 KDM4E (0.44) KDM4EMEN1MAPTKMT2AHSP90AA1
SCHEMBL28187924 0.68 KDM4E (0.41) KDM4EMEN1MAPTKMT2AHSP90AA1
SCHEMBL11653083 0.66 KDM4E (0.49) KDM4EMEN1MAPTKMT2AHSP90AA1
SCHEMBL1087151 0.66 KDM4E (0.49) KDM4EMEN1MAPTKMT2AHSP90AA1
SCHEMBL4314180 0.66 PTPN1 (0.39) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL9787018 0.65 KDM4E (0.45) KDM4EMEN1MAPTKMT2AHSP90AA1
SCHEMBL18031579 0.65 ING2 (0.46) KDM4EMEN1MAPTKMT2AHSP90AA1
SCHEMBL11799540 0.65 KMT2A (0.47) KDM4EMEN1MAPTKMT2AHSP90AA1
SCHEMBL39261 0.65 KMT2A (0.47) KDM4EMEN1MAPTKMT2AHSP90AA1

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
US-4006252-A (3,5-DI-TERT-BUTYL-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)-(3,5-DI-TERT -BUTYL-4-HYDROXYPHENYL)METHANE ETHYL CORPORATION (US) 1977-02-01 — — US disclosed
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