SCHEMBL7417657

SCHEMBL7417657

CC(C)C([O])Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CA4 P22748 1/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38

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
SCHEMBL57754 0.80 MTNR1A (0.46) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL27834718 0.76 KDM4E (0.40) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL9541523 0.76 MTNR1A (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL25882988 0.75 CA4 (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL14830646 0.75 CA4 (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL941113 0.75 CA4 (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL11156032 0.75 CA4 (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL2020254 0.75 CA4 (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL4739360 0.74 ATM (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL12394 0.74 KMT2A (0.54) MTNR1AMTNR1BGAACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0547140-A4 IMMUNOSUPPRESSANT COMPOSITION 1993-10-13 EP claimed
EP-0547140-A1 IMMUNOSUPPRESSANT COMPOSITION THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1993-06-23 EP claimed
WO-1992004055-A1 IMMUNOSUPPRESSANT COMPOSITION THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1992-03-19 WO claimed
EP-0547140-A4 IMMUNOSUPPRESSANT COMPOSITION 1993-10-13 EP disclosed
EP-0547140-A1 IMMUNOSUPPRESSANT COMPOSITION THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1993-06-23 EP disclosed
WO-1992004055-A1 IMMUNOSUPPRESSANT COMPOSITION THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1992-03-19 WO disclosed
EP-0287605-A1 AMINO-2 ETHANETHIOL DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1988-10-26 EP disclosed
WO-1988002363-A1 AMINO-2 ETHANETHIOL DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE M (FR) 1988-04-07 WO disclosed