SCHEMBL13829323

SCHEMBL13829323

CCC(C)(C)C(=O)OC1CC2CC1C1CC(O)C(O)C21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.31
USP2 O75604 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HMGCR P04035 2/20 0.31
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
ABCB1 P08183 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2C8 P10632 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRB3 P13945 1/20 0.31
GABRA1 P14867 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
DRD1 P21728 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
SCHEMBL13201527 0.84 CYP3A4 (0.31) CYP3A4USP2ALDH1A1HMGCRTSHR
SCHEMBL12518946 0.83
SCHEMBL13201520 0.82 HMGCR (0.33) CYP3A4USP2ALDH1A1HMGCRTSHR
SCHEMBL15113766 0.81 SLCO1B1 (0.32) CYP3A4USP2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13012092 0.81 GRM2 (0.32) SLCO1B1
SCHEMBL14210238 0.80
SCHEMBL13563624 0.80 CYP3A4 (0.34) CYP3A4USP2ALDH1A1HMGCRTSHR
SCHEMBL15113767 0.80 CYP3A4 (0.31) CYP3A4USP2ALDH1A1HMGCRTSHR
SCHEMBL132135 0.79 SLCO1B1 (0.31) SLCO1B1
SCHEMBL12130489 0.78 GRM2 (0.31) SLCO1B1

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-8808965-B2 Pattern forming method, pattern, chemical amplification resist composition and resist film FUJIFILM CORPORATION (JP) 2014-08-19 US disclosed
US-20120288691-A1 PATTERN FORMING METHOD, PATTERN, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2012-11-15 US disclosed