SCHEMBL28229246

SCHEMBL28229246

C=Cc1ccc(COCn2cccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.32
TEAD3 Q99594 1/20 0.31
LMNA P02545 2/20 0.30
PSMD14 O00487 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL5066935 0.79 ALDH1A1 (0.55) ALDH1A1TSHRCA1CA2POLB
SCHEMBL5803076 0.77 TSHR (0.58) ALDH1A1TSHRCA1CA2POLB
SCHEMBL14378813 0.76 TSHR (0.62) ALDH1A1TSHRCA1CA2POLB
SCHEMBL28837179 0.76 ALDH1A1 (0.46) ALDH1A1TSHRCA1CA2POLB
SCHEMBL18868385 0.75 ALDH1A1 (0.50) ALDH1A1TSHRCA1CA2POLB
SCHEMBL18832287 0.75 ALDH1A1 (0.50) ALDH1A1TSHRPOLBTEAD3TP53
SCHEMBL15841445 0.75 LTA4H (0.42) ALDH1A1TSHRTEAD3LMNA
SCHEMBL17075233 0.74 ALDH1A1 (0.48) ALDH1A1TSHRTEAD3TP53
SCHEMBL1140820 0.74 ALDH1A1 (0.48) ALDH1A1TSHRTEAD3TP53
SCHEMBL27977622 0.73 ALDH1A1 (0.42) ALDH1A1TSHRCA1CA2POLB

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-108473620-A Modified conjugated diene polymer and preparation method thereof 株式会社LG化学 2018-08-31 CN disclosed