SCHEMBL15958396

SCHEMBL15958396

CCC(C)(CC(C)(C)C(=O)Oc1cccc(O)c1)C(=O)Oc1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
POLB P06746 1/20 0.40
EGFR P00533 1/20 0.40
ELANE P08246 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2742153 0.86 CYP3A4 (0.59) CYP3A4ESR1ESR2POLBEGFR
SCHEMBL26499165 0.85 ELANE (0.49) ELANEMEN1KMT2ABCHEALDH1A1
SCHEMBL16865916 0.82 ELANE (0.47) ELANEMEN1KMT2ABCHEALDH1A1
SCHEMBL26498989 0.82 ELANE (0.47) ELANEMEN1KMT2ABCHEALDH1A1
SCHEMBL26499177 0.82 ELANE (0.47) ELANEMEN1KMT2ABCHEALDH1A1
SCHEMBL16200777 0.82 ELANE (0.47) ELANEMEN1KMT2ABCHEALDH1A1
SCHEMBL20100796 0.82 ELANE (0.47) ELANEMEN1KMT2ABCHEALDH1A1
SCHEMBL26499197 0.82 ELANE (0.43) ELANE
SCHEMBL13805199 0.79 ELANE (0.48) ELANEALDH1A1
SCHEMBL19397852 0.78 ELANE (0.47) ELANEALDH1A1

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-8808966-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed