SCHEMBL28845170

SCHEMBL28845170

CC(=O)CC1(C(=O)O)C=Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HSD17B3 P37058 1/20 0.32
NOTUM Q6P988 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL31286283 0.82 CXCR5 (0.33)
SCHEMBL4679449 0.73 HSD11B1 (0.36) ALDH1A1
SCHEMBL8068895 0.73 MAOA (0.35) HSD17B3
SCHEMBL7529245 0.71 CA1 (0.35) HSD17B3
SCHEMBL27328867 0.71 HSD11B1 (0.36)
SCHEMBL4734678 0.70 MAOA (0.33) ALDH1A1
SCHEMBL11741518 0.70 HSD11B1 (0.36) HSD17B3
SCHEMBL6059687 0.70 HSD11B1 (0.33)
SCHEMBL9649135 0.70 ALDH1A1 (0.40) ALDH1A1NOTUMHSD17B10
SCHEMBL28151356 0.70 OPRM1 (0.35) ALDH1A1HSD17B10

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
CN-103718109-B Photosensitive polymer combination and film, pattern forming material, polyimide film, relief pattern and preparation method and semiconductor device 富士胶片株式会社 2017-06-23 CN disclosed