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SCHEMBL27804199

SCHEMBL27804199

CC(=CO)C(=O)OC1CC(C)(C)N(C2CCCCC2)C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL27782671 0.87 TSHR (0.31) TSHRKMT2A
SCHEMBL3475992 0.84 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL27804200 0.82 TSHR (0.36) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9792254 0.79 TSHR (0.31) TSHRKMT2AALDH1A1
SCHEMBL27782655 0.79 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL21683220 0.76 EPHX1 (0.44) TSHRALDH1A1HSD17B10
SCHEMBL27707774 0.76 EPHX1 (0.44) TSHRALDH1A1HSD17B10
SCHEMBL27782634 0.75 TSHR (0.33) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL27782670 0.72 TSHR (0.37) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL3473904 0.71 TSHR (0.34) TSHRKMT2AALDH1A1ESR1HSD17B10

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
CN-101691068-B Resin molded body and its molding method TEIJIN CHEMICALS LTD 2013-10-23 — — CN disclosed
CN-101691068-A Resin molded body and its molding method TEIJIN CHEMICALS LTD 2010-04-07 — — CN disclosed