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Sugi Predict / Compounds / SCHEMBL8485403

SCHEMBL8485403

SCHEMBL8485403

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CCC(C)(CNCCOc1ccccc1C=O)O2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.41
▸ ADRA1D P25100 10/20 0.41
▸ ADRA1A P35348 10/20 0.41
▸ ADRA1B P35368 10/20 0.41
▸ PSEN1 P49768 5/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALOX5 P09917 1/20 0.36

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
SCHEMBL6968237 0.88 MEN1 (0.41) HTR1AADRA1DADRA1AADRA1BPSEN1
SCHEMBL6971766 0.84 PSEN1 (0.40) PSEN1MEN1MAPTKMT2ATDP1
SCHEMBL6980822 0.84 PSEN1 (0.38) PSEN1MEN1MAPTKMT2ATDP1
SCHEMBL8487392 0.81 HTR1A (0.33) HTR1AADRA1DADRA1AADRA1BPSEN1
SCHEMBL7969326 0.80 PSEN1 (0.42) PSEN1MEN1MAPTKMT2ATDP1
SCHEMBL11601582 0.80 PSEN1 (0.42) PSEN1MEN1MAPTKMT2ATDP1
SCHEMBL11601587 0.80 PSEN1 (0.42) PSEN1MEN1MAPTKMT2ATDP1
SCHEMBL8893199 0.80 MAPT (0.40) PSEN1MEN1MAPTKMT2ATDP1
SCHEMBL6966545 0.80 HPGD (0.52) MEN1KMT2A
SCHEMBL6966548 0.80 HPGD (0.52) MEN1KMT2A

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-5925656-A CONTAINING A 2,4-DIOXOTRIAZOLIDINE RING DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-07-20 — — US disclosed