SCHEMBL13067971

SCHEMBL13067971

CCOP(=O)(COC)Cc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2A6 P11509 1/20 0.45
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
EPHX2 P34913 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
NR1I2 O75469 1/20 0.38
POLB P06746 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL31688361 0.82 CYP1A2 (0.50) CYP1A2CYP2A6FNTAFNTBEPHX2
SCHEMBL915284 0.82 CYP1A2 (0.50) CYP1A2CYP2A6FNTAFNTBEPHX2
SCHEMBL10331192 0.80 CYP1A2 (0.52) CYP1A2CYP2A6FNTAFNTBEPHX2
SCHEMBL27064765 0.76 KDM4E (0.41) MEN1KMT2AGAAPOLBCTDSP1
SCHEMBL8824579 0.73 CYP1A2 (0.50) CYP1A2CYP2A6FNTAFNTBMEN1
SCHEMBL9166658 0.73 NPY5R (0.42) CYP1A2CYP2A6POLB
SCHEMBL5957280 0.71 FNTA (0.50) CYP1A2CYP2A6FNTAFNTBEPHX2
SCHEMBL915502 0.71 PGK1 (0.50) CYP1A2CYP2A6
SCHEMBL13486393 0.71 CYP1A2 (0.55) CYP1A2CYP2A6KMT2ARAB9A
SCHEMBL29616518 0.71 PGK1 (0.50) CYP1A2CYP2A6

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
EP-1842868-B1 PROCESS FOR PRODUCING POLYESTER, POLYESTER PRODUCED USING SAID PROCESS, AND POLYESTER MOLDED PRODUCT TOYO BOSEKI (JP) 2010-11-10 EP disclosed