SCHEMBL27765701

SCHEMBL27765701

NC(=O)Oc1cccc2c1ccc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PGR P06401 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 1/20 0.49
HPRT1 P00492 2/20 0.48
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMP2 P08253 1/20 0.43
OGG1 O15527 1/20 0.43
NCEH1 Q6PIU2 1/20 0.43
FABP7 O15540 3/20 0.42
FABP3 P05413 3/20 0.42

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
SCHEMBL367040 0.89 HSD17B10 (0.61) GAAHSD17B10ALDH1A1PGRPTGS1
Ammonia Solution, Strong SCHEMBL11430486 0.87 HSD17B10 (0.59) GAAHSD17B10ALDH1A1PGRPTGS1
SCHEMBL18817858 0.86 HSD17B10 (0.53) GAAHSD17B10ALDH1A1PGRPTGS1
SCHEMBL27807134 0.84 HSD17B10 (0.51) GAAHSD17B10ALDH1A1PGRPTGS1
SCHEMBL2395666 0.84 HSD17B10 (0.51) GAAHSD17B10ALDH1A1PGRPTGS1
SCHEMBL11152562 0.83 ALDH1A1 (0.54) GAAHSD17B10ALDH1A1PGRPTGS1
SCHEMBL1394636 0.83 HSD17B10 (0.50) GAAHSD17B10ALDH1A1PGRPTGS1
SCHEMBL28689978 0.83 ALDH1A1 (0.54) GAAHSD17B10ALDH1A1PGRPTGS1
Acrylic Acid SCHEMBL28166549 0.82 ALDH1A1 (0.50) GAAHSD17B10ALDH1A1PGRPTGS1
Butane SCHEMBL8966575 0.81 ALDH1A1 (0.57) GAAHSD17B10ALDH1A1PGRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109662964-A For improving the method and composition of cognitive function 约翰斯.霍普金斯大学 2019-04-23 CN disclosed
CN-105143177-B The manufacturing method of xylylene diisocyanate and the manufacturing device of xylylene diisocyanate 三井化学株式会社 2018-07-10 CN disclosed
CN-105377808-B Method for producing trans-bis (aminomethyl) cyclohexane and method for producing bis (isocyanatomethyl) cyclohexane 三井化学株式会社 2018-05-29 CN disclosed
CN-105142623-A Methods and compositions for improving cognitive function AGENEBIO INC 2015-12-09 CN disclosed
CN-102905532-A Methods and compositions for improving cognitive function UNIV JOHNS HOPKINS 2013-01-30 CN disclosed
CN-101563083-A Combinations containing a 4-acylaminopyridine derivative BRAINCELLS INC (US) 2009-10-21 CN disclosed