SCHEMBL9575827

SCHEMBL9575827

CC1(C)C2CCC1(C)C(OC(=O)CSC#N)C2.CCCCOCCOCCSC#N

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.76
ALDH1A1 P00352 1/20 0.76
HTT P42858 3/20 0.47
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PLA2G1B P04054 1/20 0.43
MAPK1 P28482 1/20 0.43
RAD52 P43351 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Isobornyl Valerate SCHEMBL28124650 0.89 ALDH1A1 (0.84) LMNAALDH1A1HTTCYP19A1
SCHEMBL5933205 0.87 ALDH1A1 (1.00) LMNAALDH1A1CYP19A1HSD17B10
SCHEMBL790530 0.87 ALDH1A1 (1.00) LMNAALDH1A1CYP19A1HSD17B10
SCHEMBL27474596 0.87 ALDH1A1 (1.00) LMNAALDH1A1CYP19A1HSD17B10
Valeric Acid SCHEMBL28224201 0.87 LMNA (0.81) LMNAALDH1A1HTTCYP19A1
SCHEMBL28189135 0.86 ALDH1A1 (0.97) LMNAALDH1A1CYP19A1HSD17B10
SCHEMBL28008917 0.81 ALDH1A1 (0.71) LMNAALDH1A1CYP19A1
SCHEMBL28836707 0.81 ALDH1A1 (0.86) LMNAALDH1A1CYP19A1
SCHEMBL27701178 0.79 ALDH1A1 (0.75) LMNAALDH1A1CYP19A1
SCHEMBL27525621 0.79 ALDH1A1 (0.78) LMNAALDH1A1CYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571396-A1 MICROCAPSULES AND MICROENCAPSULATION PROCESS. ZENECA INC (US) 1993-12-01 EP disclosed
WO-1992013448-A1 MICROCAPSULES AND MICROENCAPSULATION PROCESS ZENECA INC. (US) 1992-08-20 WO disclosed
EP-0134674-A1 Pesticide compositions STAUFFER CHEMICAL COMPANY (US) 1985-03-20 EP disclosed