SCHEMBL12430221

SCHEMBL12430221

CCC(C)C(=O)OC1CCC2CC1CCC2=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 4/20 0.33
CYP3A4 P08684 4/20 0.33
TSHR P16473 4/20 0.33
ABCB11 O95342 3/20 0.33
HIF1A Q16665 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
MTOR P42345 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 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
SCHEMBL13645465 0.74 CYP3A4 (0.34) HMGCRSMN1; SMN2LMNACYP3A4TSHR
SCHEMBL785985 0.73 HMGCR (0.38) HMGCRSMN1; SMN2LMNACYP3A4TSHR
SCHEMBL786222 0.71 ATM (0.46) SMN1; SMN2LMNAALDH1A1
SCHEMBL13657228 0.70 GRM1 (0.39) HMGCRSMN1; SMN2LMNACYP3A4TSHR
SCHEMBL27306924 0.70 CYP2D6 (0.35) HMGCRSMN1; SMN2LMNACYP3A4TSHR
SCHEMBL3266694 0.69 EPHX2 (0.37) MEN1KMT2AALDH1A1KDM4E
SCHEMBL28419916 0.69 HMGCR (0.39) HMGCRSMN1; SMN2LMNACYP3A4TSHR
SCHEMBL14556455 0.68 CYP2D6 (0.40) SMN1; SMN2LMNAKMT2AALDH1A1HTT
SCHEMBL28323529 0.67 CYP19A1 (0.35) HMGCRSMN1; SMN2LMNATSHRABCB11
SCHEMBL17515457 0.67 HMGCR (0.33) HMGCRSMN1; SMN2LMNACYP3A4TSHR

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-7977029-B2 Positive photosensitive composition FUJIFILM CORPORATION (JP) 2011-07-12 US disclosed
US-20080318159-A1 POSITIVE PHOTOSENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2008-12-25 US disclosed