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SCHEMBL7797394

SCHEMBL7797394

C=C(C)C(=O)OCC(C)OC(=O)C12CC3(C)CC(C)(C1)CC(C(=O)OC(C)COC(=O)C(=C)C)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ THRB P10828 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
SCHEMBL7797322 0.89 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1RAB9APKM
SCHEMBL7791065 0.84 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1RAB9APKM
SCHEMBL7799308 0.81 TSHR (0.47) TSHRALDH1A1
SCHEMBL7797340 0.78 SMN1; SMN2 (0.54) TSHRSMN1; SMN2ALDH1A1PKMHSD17B10
SCHEMBL7797307 0.75 SMN1; SMN2 (0.51) TSHRSMN1; SMN2ALDH1A1PKMHSD17B10
SCHEMBL160208 0.75 TSHR (0.73) TSHRSMN1; SMN2ALDH1A1THRB
SCHEMBL17530065 0.75 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1
SCHEMBL14299952 0.75 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL18315203 0.75 ALDH1A1 (0.44) TSHRSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7797327 0.74 TSHR (0.53) TSHRSMN1; SMN2ALDH1A1PKMHSD17B10

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
EP-1164125-A1 ADAMANTANE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Daicel Chemical Industries, Ltd. (JP) 2001-12-19 — — EP disclosed