SCHEMBL8916348

SCHEMBL8916348

CCCCOCCOCCOP(=O)(OCC)OCCOCCOCCCC

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.88
CYP3A4 P08684 2/20 0.88
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
Phosphine SCHEMBL28928133 0.94 CYP3A4 (1.00) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL3898989 0.94 CYP3A4 (1.00) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL37268 0.94 CYP3A4 (1.00) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL872513 0.94 CYP3A4 (1.00) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL7870756 0.92 CYP3A4 (0.74) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL15283502 0.92 TSHR (0.88) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL15293625 0.89 CYP3A4 (0.91) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL15293624 0.89 CYP3A4 (0.91) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL15695763 0.89 CYP3A4 (0.91) TSHRCYP3A4HPGDSMN1; SMN2
SCHEMBL116616 0.89 CYP3A4 (0.91) TSHRCYP3A4HPGDSMN1; SMN2

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
JP-9241273-A None JP disclosed
JP-H09241273-A PHOSPHORIC ACID TRIESTER AND SKIN PREPARATION FOR EXTERNAL USE CONTAINING THE SAME KAO CORP 1997-09-16 JP disclosed