SCHEMBL12396405

SCHEMBL12396405

CCC(C)(C)C(=O)OC1CC2CC(OC2=O)C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
HMGCR P04035 3/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
ABCB1 P08183 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRB3 P13945 1/20 0.38
GABRA1 P14867 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL111509 0.84 CYP3A4 (0.36) CYP3A4HMGCRUSP2ALDH1A1TSHR
SCHEMBL2607860 0.83 HMGCR (0.38) CYP3A4HMGCRUSP2ALDH1A1TSHR
SCHEMBL12430032 0.76 CYP3A4 (0.34) CYP3A4HMGCRUSP2ALDH1A1TSHR
SCHEMBL13255947 0.76 CYP3A4 (0.34) CYP3A4HMGCRUSP2ALDH1A1TSHR
SCHEMBL13449670 0.74 HMGCR (0.34) CYP3A4HMGCRUSP2ALDH1A1TSHR
SCHEMBL18799638 0.74 HMGCR (0.34) CYP3A4HMGCRUSP2ALDH1A1TSHR
SCHEMBL2607858 0.74 HMGCR (0.31) HMGCR
SCHEMBL17264805 0.74 HMGCR (0.33) CYP3A4HMGCRUSP2ALDH1A1TSHR
SCHEMBL10243004 0.73 HMGCR (0.36) CYP3A4HMGCRUSP2ALDH1A1TSHR
SCHEMBL14266192 0.73 HMGCR (0.37) CYP3A4HMGCRUSP2ALDH1A1TSHR

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-7985534-B2 Pattern forming method FUJIFILM CORPORATION (JP) 2011-07-26 US disclosed
US-20100239984-A1 PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed