SCHEMBL28190674

SCHEMBL28190674

CC=CC(=O)OCCCCOC(=O)c1ccccc1C(=O)O.[CaH2]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ ALDH1A1 P00352 9/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TDP1 Q9NUW8 4/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39

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
SCHEMBL28190566 0.99 ALDH1A1 (0.56) TSHRCYP3A4MAPK1TP53ALDH1A1
Ammonia Solution, Strong SCHEMBL28190645 0.97 TSHR (0.55) TSHRCYP3A4MAPK1TP53ALDH1A1
Ammonia Solution, Strong SCHEMBL28190698 0.96 ALDH1A1 (0.56) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL9331315 0.93 TSHR (0.54) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL27237601 0.93 TSHR (0.63) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL20394539 0.90 TSHR (0.60) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL23202779 0.88 TSHR (0.54) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL27008264 0.87 TSHR (0.61) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL5709795 0.83 TSHR (0.70) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL1395556 0.82 ALDH1A1 (0.71) TSHRCYP3A4MAPK1TP53ALDH1A1

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-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 — — CN disclosed
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