SCHEMBL8078639

SCHEMBL8078639

O=S(=O)(O)c1ccccc1CC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
TTR P02766 1/20 0.38
CTSB P07858 1/20 0.38
NPY1R P25929 2/20 0.36
NPY5R Q15761 2/20 0.36
CDC25B P30305 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
GBA1 P04062 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR1A P08908 1/20 0.33

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
SCHEMBL2470118 0.81 CA2 (0.44) CTSBCYP2C9
SCHEMBL31297331 0.79 SLC6A4 (0.37) CTSBNPY1RNPY5RMMP2MMP13
SCHEMBL3800052 0.79 CTSB (0.46) MYCTTRCTSBTSHRSMN1; SMN2
SCHEMBL31425768 0.76 MYC (0.47) MYCTTRCTSBMMP2MMP13
SCHEMBL14991455 0.76 MYC (0.47) MYCTTRCTSBMMP2MMP13
SCHEMBL30446463 0.76 MYC (0.47) MYCTTRCTSBMMP2MMP13
SCHEMBL31425767 0.76 MYC (0.47) MYCTTRCTSBMMP2MMP13
SCHEMBL4202392 0.76 MYC (0.47) MYCTTRCTSBMMP2MMP13
SCHEMBL3811042 0.75 CA1 (0.42) CTSBCYP2C9
SCHEMBL332353 0.74 CYP2D6 (0.50) MYCTTRCTSBMMP2MMP13

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
JP-2000256230-A NOVEL METHOD FOR PRODUCING CYCLOPROPYLMETHYL IODIDE NIPPON SODA CO LTD 2000-09-19 JP disclosed