SCHEMBL816915

SCHEMBL816915

CC1(c2ccc(OCO)cc2)c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
PDK2 Q15119 16/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL817515 0.87 PDK2 (0.51) PDK2
SCHEMBL17693680 0.86 PDK2 (0.41) MMP2MMP13PDK2
SCHEMBL17445909 0.85 KCNA3 (0.45) MMP2MMP13PDK2
SCHEMBL29506891 0.83 MEN1 (0.52) PDK2MEN1NPC1RAB9AKMT2A
SCHEMBL816912 0.83 MEN1 (0.52) PDK2MEN1NPC1RAB9AKMT2A
SCHEMBL25493128 0.80 MMP2 (0.50) MMP2MMP13PDK2MEN1KMT2A
SCHEMBL16116616 0.80 PDK2 (0.48) PDK2MEN1NPC1RAB9AKMT2A
SCHEMBL14826017 0.77 MEN1 (0.42) PDK2MEN1KMT2AESR1ESR2
SCHEMBL816921 0.76 PDK2 (0.50) PDK2MEN1KMT2AESR1ESR2
SCHEMBL20169589 0.76 PDK2 (0.39) MMP2MMP13PDK2MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058384-B2 Method for producing thermoplastic resin, polyester resin and polycarbonate resin, and their applications MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-11-15 US disclosed
US-20100144995-A1 METHOD FOR PRODUCING THERMOPLASTIC RESIN, POLYESTER RESIN AND POLYCARBONATE RESIN, AND THEIR APPLICATIONS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-06-10 US disclosed