SCHEMBL9576235

SCHEMBL9576235

CC(C)CC(O)COC(=O)/C=C/C(=O)OCC(O)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.39
▸ USP2 O75604 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HCAR2 Q8TDS4 4/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LAP3 P28838 2/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL9576238 0.93 HCAR2 (0.50) TSHRALDH1A1USP2HPGDCYP3A4
SCHEMBL19185258 0.84 TSHR (0.68) TSHRALDH1A1USP2HPGDCYP3A4
SCHEMBL9719220 0.82 TSHR (0.44) TSHRALDH1A1USP2HPGDCYP3A4
SCHEMBL11749700 0.81 TSHR (0.47) TSHRALDH1A1HPGDHCAR2ATM
SCHEMBL15355365 0.81 TSHR (0.47) TSHRALDH1A1HPGDHCAR2ATM
SCHEMBL11748242 0.81 TSHR (0.47) TSHRALDH1A1HPGDHCAR2ATM
SCHEMBL317108 0.80 TSHR (0.67) TSHRALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL429885 0.80 TSHR (0.67) TSHRALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL317107 0.80 TSHR (0.67) TSHRALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL11050380 0.78 HCAR2 (0.45) TSHRALDH1A1USP2HPGDCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219884-B1 HARD CONTACT LENS MATERIAL Tomei Sangyo Kabushiki Kaisha (JP) 1993-09-29 — — EP disclosed
US-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 — — US disclosed
US-4868260-A OXYGEN PERMEABILITY TOMEI SANGYO KABUSHIKI KAISHA (JP) 1989-09-19 — — US disclosed
EP-0219884-A2 Hard contact lens material Tomei Sangyo Kabushiki Kaisha (JP) 1987-04-29 — — EP disclosed
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