Sugi Predict

Sugi Predict / Compounds / SCHEMBL7960550

SCHEMBL7960550

SCHEMBL7960550

COC(CC(=O)O)(C(=O)O)C(C)(C)C(=O)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HMGCR P04035 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL62453 0.81 CYP2C19 (0.44) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL28835342 0.72 HMGCR (0.44) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL1406216 0.71 HMGCR (0.42) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL4632647 0.71 GAA (0.32) TSHRCYP2D6CYP2C19HIF1A
SCHEMBL152487 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28186949 0.69 TSHR (0.41) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL2189860 0.67 ALDH1A1 (0.48) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL6656497 0.64 ALDH1A1 (0.36) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL15554023 0.64 CYP2D6 (0.39) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL7591963 0.64 ALDH1A1 (0.45) TSHRALDH1A1

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-6270563-B1 Pigment composition MERCK PATENT GMBH (DE) 2001-08-07 — — US disclosed