SCHEMBL30074771

SCHEMBL30074771

CCOC(=O)CC1=CCc2c1ccc1c2ccc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
AHR P35869 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LTC4S Q16873 1/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TNF P01375 1/20 0.37
CDC25B P30305 1/20 0.37

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
SCHEMBL12602244 0.76 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1TDP1KMT2A
SCHEMBL25239580 0.76 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL30074755 0.74 KMT2A (0.42) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL28332298 0.74 KMT2A (0.53) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL9500368 0.74 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL31686158 0.72 SMN1; SMN2 (0.42) ALDH1A1HPGDKDM4EL3MBTL1TDP1
SCHEMBL3703857 0.72 SMN1; SMN2 (0.42) ALDH1A1HPGDKDM4EL3MBTL1TDP1
SCHEMBL21538738 0.72 TDP1 (0.40) ALDH1A1KDM4ETDP1KMT2AGAA
SCHEMBL15903864 0.71 NCEH1 (0.39) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL15903547 0.71 HPRT1 (0.44) ALDH1A1HPGDKDM4EMAPTL3MBTL1

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-4087854-A1 NEUROACTIVE STEROIDS AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Brii Biosciences, Inc. (US) 2022-11-16 EP disclosed