SCHEMBL4739360

SCHEMBL4739360

CC(C)(C)C([O])Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA4 P22748 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
LTA4H P09960 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
SLC6A4 P31645 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL8733234 0.76 CA4 (0.42) ATML3MBTL1CA4MTNR1AMTNR1B
SCHEMBL8718949 0.74 ATM (0.40) ATML3MBTL1CA4MTNR1AMTNR1B
SCHEMBL7417657 0.74 MTNR1A (0.43) CA4MTNR1AMTNR1BGAACYP1A2
SCHEMBL14463423 0.74 ATM (0.40) ATML3MBTL1CA4MTNR1AMTNR1B
SCHEMBL11911977 0.74 ATM (0.40) ATML3MBTL1CA4MTNR1AMTNR1B
SCHEMBL7322928 0.74 ATM (0.49) ATML3MBTL1MTNR1AMTNR1BGAA
SCHEMBL57754 0.73 MTNR1A (0.46) CA4MTNR1AMTNR1BGAACYP1A2
SCHEMBL295469 0.73 ATM (0.43) ATML3MBTL1CA4MTNR1AMTNR1B
SCHEMBL7322935 0.72 L3MBTL1 (0.40) ATML3MBTL1CA4MTNR1AMTNR1B
SCHEMBL312762 0.72 ATM (0.40) ATML3MBTL1CA4MTNR1AMTNR1B

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-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 WO disclosed