Sugi Predict

Sugi Predict / Compounds / SCHEMBL19218007

SCHEMBL19218007

SCHEMBL19218007

CC(=O)C12CC3CC(C1)C(OI)C(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD11B1 P28845 9/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSD11B2 P80365 1/20 0.32
▸ DGAT1 O75907 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
SCHEMBL19798646 0.84 GLA (0.40) GLAALDH1A1TSHRHSD11B1LMNA
SCHEMBL24856804 0.82 HSD11B1 (0.38) GLAALDH1A1HSD11B1
SCHEMBL12791867 0.81 HSD11B1 (0.36) GLAHSD11B1
SCHEMBL12791748 0.81 HSD11B1 (0.36) GLAHSD11B1
SCHEMBL19798637 0.77 CYP2C9 (0.37) GLAALDH1A1TSHRHSD11B1LMNA
SCHEMBL19808523 0.77 HSD11B1 (0.35) GLAALDH1A1TSHRHSD11B1LMNA
SCHEMBL19757635 0.76 HSD11B1 (0.47) GLAALDH1A1TSHRHSD11B1LMNA
SCHEMBL159994 0.76 HSD11B1 (0.47) GLAALDH1A1TSHRHSD11B1LMNA
SCHEMBL15890428 0.76 HSD11B1 (0.35) GLAALDH1A1HSD11B1HSD11B2
Acetic Acid SCHEMBL27574386 0.72 HSD11B1 (0.44) GLAALDH1A1HSD11B1

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
US-9726974-B2 Resin, photoresist composition, and method for producing photoresist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 — — US disclosed