SCHEMBL9255791

SCHEMBL9255791

C=C(CO)c1ccccc1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.36
CTNNB1 P35222 2/20 0.36
WNT3A P56704 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2313481 0.82 MAOA (0.58) MAOAMAOBERCC5FEN1TSHR
SCHEMBL10899148 0.80 MAOA (0.56) MAOAMAOBERCC5FEN1TSHR
SCHEMBL7197694 0.78 MAOA (0.55) MAOAMAOBERCC5FEN1TSHR
SCHEMBL15966565 0.78 MAOA (0.59) MAOAMAOBERCC5FEN1TSHR
SCHEMBL6546767 0.77 MAOA (0.53) MAOAMAOBHPGDKMT2AHTT
SCHEMBL11015523 0.77 MAOA (0.53) MAOAMAOBERCC5FEN1TSHR
SCHEMBL29118808 0.77 MAOA (0.49) MAOAMAOBERCC5FEN1HPGD
SCHEMBL2771852 0.75 MAOA (0.50) MAOAMAOBERCC5FEN1TSHR
SCHEMBL1315465 0.75 MAOA (0.51) MAOAMAOBERCC5FEN1HPGD
SCHEMBL15543514 0.75 MAOA (0.51) MAOAMAOBERCC5FEN1TSHR

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-5380654-A Process for the preparation of epoxides of means of microorganisms JAPAN ENERGY CORPORATION (JP) 1995-01-10 US disclosed
US-5376539-A Aerobic incubation of allyl phenyl ether with arthrobacter, brevibacterium, corynebacterium, pseudomonas or rhodococcus yields glycidyl phenyl ether NIPPON MINING CO., LTD. (JP) 1994-12-27 US disclosed