SCHEMBL17964310

SCHEMBL17964310

CC1(C)CC2CCC3CC(=O)OC32C1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL17973311 1.00 ALDH1A1 (0.36) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL19768601 1.00 ALDH1A1 (0.36) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL19768587 0.77 LMNA (0.36) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL19768603 0.77 LMNA (0.36) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL19768617 0.77 LMNA (0.36) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL17964324 0.71 ALDH1A1 (0.31) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL17972845 0.71 ALDH1A1 (0.31) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL19768614 0.71 ALDH1A1 (0.31) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL19768569 0.71 LMNA (0.33) ALDH1A1USP2LMNAMAPTHSD17B10
SCHEMBL19768607 0.71

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
EP-3250559-A1 SPIROFURANONE COMPOUNDS, DERIVATIVES THEREOF AND PROCESSES FOR THEIR PREPARATION Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2017-12-06 EP disclosed
WO-2016120879-A1 SPIROFURANONE COMPOUNDS, DERIVATIVES THEREOF AND PROCESSES FOR THEIR PREPARATION YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-08-04 WO disclosed