SCHEMBL27896387

SCHEMBL27896387

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ HSD11B1 P28845 5/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ CHRNB3 Q05901 1/20 0.31
▸ CHRNA6 Q15825 1/20 0.31
▸ HSD11B2 P80365 1/20 0.31
▸ CCR2 P41597 1/20 0.30
▸ MAPT P10636 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
SCHEMBL28054733 0.80 — —
SCHEMBL27879617 0.79 NR1H2 (0.30) —
SCHEMBL27879619 0.77 TSHR (0.44) TSHRGAASMN1; SMN2HSD11B1RECQL
SCHEMBL28054871 0.73 PIK3CD (0.39) TSHRSMN1; SMN2MEN1KMT2ARECQL
SCHEMBL27896399 0.70 TSHR (0.42) TSHRGAASMN1; SMN2KMT2AHPGD
SCHEMBL27896386 0.69 TSHR (0.44) TSHRGAASMN1; SMN2HSD11B1HPGD
SCHEMBL27896395 0.69 LMNA (0.41) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL27896447 0.68 — —
SCHEMBL27879651 0.67 — —
SCHEMBL24739167 0.63 NR1H2 (0.40) TSHRSMN1; SMN2HSD11B1MEN1KMT2A

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-102791693-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-04-13 — — CN claimed
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 — — CN claimed
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