SCHEMBL14938947

SCHEMBL14938947

Cc1ccc(S(=O)(=O)O)c(C[C@@]2(COC(=O)c3ccccc3)C[C@H]2COC(=O)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
FOLH1 Q04609 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
SYNJ2 O15056 3/20 0.33
CES2 O00748 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL14938949 0.76 FOLH1 (0.45) ATMNPC1RAB9AFOLH1CHRNB2
SCHEMBL8447511 0.76 FOLH1 (0.45) ATMNPC1RAB9AFOLH1CHRNB2
SCHEMBL8445805 0.76 FOLH1 (0.45) ATMNPC1RAB9AFOLH1CHRNB2
SCHEMBL8448905 0.74 CES2 (0.46) ATMNPC1CHRNB2CHRNA5CHRNA7
SCHEMBL8447584 0.74 CES2 (0.46) ATMNPC1CHRNB2CHRNA5CHRNA7
SCHEMBL9836356 0.73 FOLH1 (0.44) ATMNPC1RAB9AFOLH1L3MBTL1
SCHEMBL9396820 0.73 ATM (0.36) ATMNPC1RAB9AFOLH1CHRNB2
SCHEMBL9838376 0.70 CYP1A2 (0.42) ATMNPC1RAB9ACHRNB2CHRNA5
SCHEMBL6851739 0.70 RECQL (0.47) ATMNPC1RAB9AL3MBTL1TDP1
SCHEMBL9836346 0.70 TDP1 (0.46) ATMNPC1RAB9ACHRNB2CHRNA5

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-2776414-B1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2016-03-16 EP disclosed
EP-2776414-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES Aratana Therapeutics NV (BE) 2014-09-17 EP disclosed
WO-2013068042-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES OKAPI SCIENCES NV (BE) 2013-05-16 WO disclosed