SCHEMBL9081393

SCHEMBL9081393

CC(C)[C@@H](C(=O)O)C(=O)ON(C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.33
▸ ADH1C P00326 2/20 0.33
▸ ADH1A P07327 2/20 0.33
▸ ADH1B P00325 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ CTSK P43235 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LIPE Q05469 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
SCHEMBL9097148 0.73 ADH1A (0.41) TSHRALDH1A1ADH1CADH1AADH1B
SCHEMBL6914582 0.71 ADH1A (0.40) TSHRALDH1A1ADH1CADH1AADH1B
SCHEMBL9082113 0.69 SMN1; SMN2 (0.41) TSHRALDH1A1ATMSMN1; SMN2
SCHEMBL11181288 0.68 ALDH1A1 (0.42) TSHRALDH1A1ADH1CADH1AATM
SCHEMBL11274665 0.67 ALDH1A1 (0.38) TSHRALDH1A1ADH1CADH1AATM
SCHEMBL7389979 0.67 TSHR (0.38) TSHRALDH1A1ADH1CADH1AADH1B
SCHEMBL7389982 0.67 TSHR (0.38) TSHRALDH1A1ADH1CADH1AADH1B
SCHEMBL555055 0.66 ALDH1A1 (0.40) TSHRALDH1A1ADH1CADH1AADH1B
SCHEMBL158232 0.66 ALDH1A1 (0.40) TSHRALDH1A1ADH1CADH1AADH1B
Lactic Acid SCHEMBL10895208 0.66 TP53 (0.46) TSHRALDH1A1ADH1CADH1AADH1B

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
WO-1996011927-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-04-25 — — WO disclosed
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