SCHEMBL9068369

SCHEMBL9068369

CC(C)(C)c1ccc(OP(OCCN(CCOP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)CCOP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ MAPK1 P28482 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CYP2C19 P33261 2/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL9068467 0.90 KDM4E (0.43) KDM4EMAPK1MAPTNPSR1TRPV1
SCHEMBL13160817 0.85 KDM4E (0.39) KDM4EMAPK1MAPTNPSR1TRPV1
SCHEMBL11983517 0.85 KDM4E (0.39) KDM4EMAPK1MAPTNPSR1TRPV1
SCHEMBL1648790 0.85 KDM4E (0.39) KDM4EMAPK1MAPTNPSR1TRPV1
SCHEMBL9068491 0.84 KDM4E (0.48) KDM4EMAPK1MAPTNPSR1TRPV1
SCHEMBL11983671 0.84 TRPV1 (0.36) KDM4EMAPK1MAPTNPSR1TRPV1
SCHEMBL28395283 0.82 KDM4E (0.37) KDM4EMAPK1MAPTNPSR1TRPV1
SCHEMBL9067541 0.82 MAPK1 (0.47) KDM4EMAPK1MAPTNPSR1ALDH1A1
SCHEMBL26607 0.81 CA1 (0.41) KDM4EMAPK1MAPTNPSR1TRPV1
SCHEMBL29349873 0.81 CA1 (0.41) KDM4EMAPK1MAPTNPSR1TRPV1

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-5521237-A HEAT, OXIDATION, AND RADIATION RESISTANT POLYOLEFINS FOR PROTECTIVE COATINGS THAT RESIST DISCOLORATION CIBA-GEIGY CORPORATION (US) 1996-05-28 — — US disclosed
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