SCHEMBL10716749

SCHEMBL10716749

COC(=O)CC1CCC(O)C1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ GAA P10253 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ EGFR P00533 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL10716754 1.00 TSHR (0.34) TSHRBRD4GAAHSD17B10MGAM
SCHEMBL11746880 0.87 MEN1 (0.32) TSHRBRD4
SCHEMBL11742524 0.83 TSHR (0.31) TSHR
SCHEMBL18088607 0.78 MEN1 (0.39) TSHRBRD4GAAHSD17B10MGAM
SCHEMBL17281763 0.78 SLC6A12 (0.41) —
SCHEMBL1863234 0.77 — —
SCHEMBL12810448 0.77 BRD4 (0.32) TSHRBRD4
SCHEMBL23963958 0.74 CYP3A4 (0.35) TSHRBRD4HSD17B10EPHX2
SCHEMBL8444550 0.73 EPHX2 (0.44) TSHRBRD4GAAHSD17B10MGAM
SCHEMBL5638546 0.72 TSHR (0.46) TSHRBRD4GAAHSD17B10MGAM

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-62026248-A — — None — — JP disclosed
JP-S6226248-A CIS-2-ALKYL-3-ALKOXYCARBONYLMETHYLCYCLOPENTANOL T HASEGAWA CO LTD 1987-02-04 — — JP disclosed
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