SCHEMBL20769701

SCHEMBL20769701

CC(C)Cn1cc(CC(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ICMT O60725 8/20 0.57
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1C4 P17516 1/20 0.46
PTGS1 P23219 1/20 0.46
PLK1 P53350 5/20 0.46
TBXAS1 P24557 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL20769719 0.81 ALDH1A1 (0.65) ICMTALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL3596003 0.81 ICMT (0.46) ICMTPLK1PTGDR2
SCHEMBL20769732 0.81 AKR1C3 (0.48) ALDH1A1LMNAAKR1C3AKR1C2AKR1C4
SCHEMBL28365640 0.81 PLK1 (0.67) ICMTALDH1A1LMNAPLK1
SCHEMBL20769700 0.80 LMNA (0.75) ICMTALDH1A1LMNAPPARGPPARD
SCHEMBL6242130 0.79 KMT2A (0.52) ALDH1A1LMNAAKR1C3AKR1C2AKR1C4
SCHEMBL3588680 0.78 ICMT (0.46) ICMTALDH1A1PTGDR2
SCHEMBL20769653 0.78 ALDH1A1 (0.61) ICMTALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL20769727 0.78 AKR1C3 (0.48) ALDH1A1LMNAAKR1C3AKR1C2AKR1C4
SCHEMBL3585665 0.77 ICMT (0.50) ICMT

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
WO-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 WO disclosed