SCHEMBL9485133

SCHEMBL9485133

CC1(C)CCC(C)(C)N1ONC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.32
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 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
SCHEMBL25270882 0.92 TSHR (0.40) FFAR3TSHRNFKB1CYP2C19
SCHEMBL28568833 0.75 TSHR (0.36) TSHRNFKB1CYP2C19
SCHEMBL7741916 0.74
SCHEMBL3636946 0.70 FFAR3 (0.36) FFAR3TSHRNFKB1CYP2C19
SCHEMBL19463652 0.70 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL4442630 0.70 HDAC8 (0.34) TSHRNFKB1CYP2C19
SCHEMBL23783494 0.67 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL23783497 0.66 TSHR (0.30) TSHRNFKB1CYP2C19
SCHEMBL259323 0.65 TSHR (0.33) TSHRNFKB1CYP2C19
SCHEMBL8598624 0.64 GAA (0.32)

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-0313941-B1 PHOTOCROMIC MATERIAL NISSAN MOTOR CO., LTD. (JP) 1993-01-20 EP disclosed