Sugi Predict

Sugi Predict / Compounds / SCHEMBL3937862

SCHEMBL3937862

SCHEMBL3937862

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cl[Pd]Cl.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL3941832 0.91 CYP3A4 (0.52) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL9717825 0.79 ROCK2 (0.40) CYP3A4TDP1KDM4EMEN1ALDH1A1
SCHEMBL28670995 0.79 ROCK2 (0.40) CYP3A4TDP1KDM4EMEN1ALDH1A1
SCHEMBL23812215 0.78 SLC18A3 (0.39) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL29359632 0.78 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL2653270 0.78 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL28192473 0.78 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL22778068 0.77 CYP3A4 (0.33) CYP3A4TDP1ALDH1A1
SCHEMBL16598476 0.76 CYP3A4 (0.32) CYP3A4TDP1ALDH1A1
SCHEMBL111336 0.76 — —

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-1378532-B1 POLYMER CONTAINING 9-OXO-9-PHOSPHAFLUORENE-2,7-DIYL SKELETON IN BACKBONE AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2009-04-01 — — EP disclosed