SCHEMBL22795147

SCHEMBL22795147

C=CC(=O)NC(C)(C)C(C)CC1CC1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL137801 0.78 TSHR (0.45) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21728873 0.75 TSHR (0.42) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL27512565 0.74 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL174734 0.70 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8576089 0.70 TSHR (0.37) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21439808 0.69 TSHR (0.46) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL15648653 0.67 ZDHHC20 (0.50) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19068757 0.66
SCHEMBL22773432 0.66 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1140485 0.66 TSHR (0.43) TSHRALDH1A1CYP3A4CYP2C9CYP2C19

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
US-11814567-B2 Heat storage material, method of producing same, and heat storage tank MITSUBISHI ELECTRIC CORPORATION (JP) 2023-11-14 US disclosed
US-20200392390-A1 HEAT STORAGE MATERIAL, METHOD OF PRODUCING SAME, AND HEAT STORAGE TANK MITSUBISHI ELECTRIC CORPORATION (JP) 2020-12-17 US disclosed