SCHEMBL9372182

SCHEMBL9372182

CC1(C)N=C(n2ccccc2=O)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
POLB P06746 4/20 0.36
TTR P02766 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PTPRC P08575 2/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL9371485 0.91 S100A4 (0.37) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL9375674 0.90 F10 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9372114 0.88 ALOX5 (0.40) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL10435671 0.87 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9373865 0.87 F10 (0.33)
SCHEMBL9379871 0.85 MAPT (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL9372188 0.84 ALDH1A1 (0.36) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL10435504 0.83 KDM4E (0.36) ALDH1A1HPGDHSD17B10
SCHEMBL9372171 0.82 F10 (0.35) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL9372466 0.82 HSD11B1 (0.33) ALDH1A1MAPTTDP1HPGD

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
EP-0371312-B1 Benzoxazine derivatives MERCK PATENT GMBH (DE) 1994-07-20 EP disclosed
US-5036068-A Cardiovascular disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-07-30 US disclosed