SCHEMBL14065604

SCHEMBL14065604

C=C(C)C(=O)OCC1COC2(O1)C1CC3CC2CC(C1)C31OCC(COC(=O)C(=C)C)O1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TSHR P16473 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 1/20 0.33
CA2 P00918 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL25509574 0.84 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL14470792 0.80 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL378537 0.80 ALDH1A1 (0.65) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL14065602 0.79 ALDH1A1 (0.63) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL924281 0.77 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL6052957 0.77 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL8200512 0.77 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL14065599 0.77 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL2048901 0.76 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL15617 0.76 ALDH1A1 (1.00) ALDH1A1TSHRCYP3A4CYP2D6CYP2C19

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-7419761-B2 Photoresist monomer having spiro cyclic ketal group, polymer thereof and photoresist composition including the same DONGJIN SEMICHEM CO., LTD. (KR) 2008-09-02 US disclosed