SCHEMBL8408161

SCHEMBL8408161

C=C(C(=O)OCCC(C)CC(C)(C)C)C(=O)OCCC(C)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
ALOX15 P16050 1/20 0.34
TSHR P16473 3/20 0.32
THRB P10828 1/20 0.31
CHRNB2 P17787 2/20 0.30
CHRNA4 P43681 2/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 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
SCHEMBL234178 0.88 TSHR (0.47) EGFRALOX15TSHRTHRB
SCHEMBL11433928 0.86 EGFR (0.36) EGFRALOX15TSHR
SCHEMBL30369121 0.82 EGFR (0.36) EGFRALOX15
SCHEMBL9087682 0.81 EGFR (0.40) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL3289278 0.79 EGFR (0.41) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL113147 0.79 ALOX15 (0.53) EGFRALOX15TSHRCHRNB2CHRNA4
SCHEMBL5932536 0.79 EGFR (0.39) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL5933627 0.79 EGFR (0.39) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL5932523 0.79 EGFR (0.39) EGFRALOX15CHRNB2CHRNA4CHRNB4
SCHEMBL5836238 0.78 EGFR (0.38) EGFRALOX15CHRNB2CHRNA4CHRNB4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663206-B1 Naphthalenmethylenemalonic diesters, and UV absorbers and cosmetic compositions containing the diesters KAO CORP (JP) 1999-07-14 EP disclosed
EP-0663206-A1 Naphthalenmethylenemalonic diesters, and UV absorbers and cosmetic compositions containing the diesters Kao Corporation (JP) 1995-07-19 EP disclosed