SCHEMBL9196679

SCHEMBL9196679

CCCCC(=O)NCC(=O)CCC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
FAAH O00519 2/20 0.47
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.43

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
SCHEMBL9736774 0.89 MEN1 (0.58) EPHX2POLBMEN1KMT2AALDH1A1
SCHEMBL28270211 0.85 EPHX2 (0.61) EPHX2POLBMEN1KMT2AALDH1A1
SCHEMBL22271589 0.84 EPHX2 (0.63) EPHX2MEN1KMT2AALDH1A1HPGD
SCHEMBL11957306 0.83 HPGD (0.59) EPHX2POLBMEN1KMT2AALDH1A1
SCHEMBL2431411 0.82 EPHX2 (0.60) EPHX2MEN1KMT2AALDH1A1HPGD
SCHEMBL133636 0.82 ALDH1A1 (0.59) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL18743946 0.82 HPGD (0.58) EPHX2MEN1KMT2AALDH1A1HPGD
SCHEMBL27688463 0.82 EPHX2 (0.59) EPHX2POLBMEN1KMT2AALDH1A1
SCHEMBL20029050 0.81 EPHX2 (0.62) EPHX2POLBMEN1KMT2AALDH1A1
Water SCHEMBL27569528 0.80 ALDH1A1 (0.58) POLBMEN1KMT2AALDH1A1HPGD

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
JP-7053487-A None JP disclosed
JP-H0753487-A PLANT-GROWTH REGULATOR COSMO SOGO KENKYUSHO:KK 1995-02-28 JP disclosed