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SCHEMBL9270239

SCHEMBL9270239

CC1(C)CC(OC(=O)N=NC(=O)OC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)CC(C)(C)N1OC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ EPHX1 P07099 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL9270235 1.00 TSHR (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL8462829 0.88 TSHR (0.49) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL10067197 0.86 TSHR (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL13412654 0.82 CYP2C19 (0.40) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9334232 0.82 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL8944559 0.82 EPHX1 (0.41) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL580975 0.82 NAAA (0.45) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL13474861 0.82 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
Hydrochloric Acid SCHEMBL9337013 0.82 TSHR (0.35) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL9268133 0.80 TSHR (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380828-A Stabilization by being grafted onto a polymer CIBA-GEIGY CORPORATION (US) 1995-01-10 — — US claimed