SCHEMBL8459306

SCHEMBL8459306

CC=C(C)C1(CC)CCOC1=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8593083 0.81 ALDH1A1 (0.34) CYP2C9CYP3A4ALOX15TSHRCYP2C19
SCHEMBL7563469 0.78 LMNA (0.33) CYP2C9LMNA
SCHEMBL8197883 0.75 LMNA (0.32) CYP2C9LMNA
SCHEMBL30275680 0.72 ATM (0.43) TSHR
SCHEMBL3389445 0.69 ALDH1A1 (0.36) CYP2C9CYP3A4ALOX15TSHRCYP2C19
SCHEMBL10701530 0.67
SCHEMBL6960808 0.67 LMNA (0.31) CYP2C9LMNA
SCHEMBL576533 0.66 LMNA (0.34) CYP2C9LMNA
SCHEMBL8583847 0.66 PRKCA (0.39) CYP2C9LMNA
SCHEMBL6961163 0.65 PRKCA (0.33)

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-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed