Sugi Predict

Sugi Predict / Compounds / SCHEMBL27946705

SCHEMBL27946705

SCHEMBL27946705

CCC1=Cc2c(-c3cc4ccccc4c4ccccc34)cccc2C1[Zr](Cl)(Cl)(=C(C)C)C1C(CC)=Cc2c(-c3cc4ccccc4c4ccccc34)cccc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL27929383 0.91 ALDH1A1 (0.31) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL27946701 0.86 ALDH1A1 (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL27929393 0.84 ALDH1A1 (0.35) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL6013778 0.84 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL6013799 0.84 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL5952817 0.84 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL6013782 0.81 ALDH1A1 (0.30) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL144096 0.81 PDCD1 (0.32) —
SCHEMBL6013781 0.81 — —
SCHEMBL7673965 0.78 ALDH1A1 (0.36) ALDH1A1HPGDTSHRMAPK1CASP1

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
CN-102356100-B Copolymer of olefin and conjugated diene and preparation method thereof MITSU CHEMICALS INC 2014-01-08 — — CN disclosed