SCHEMBL9057020

SCHEMBL9057020

O=C(c1ccccc1)c1cccc(CNC2CCCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 4/20 0.51
HDAC1 Q13547 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PPM1D O15297 1/20 0.49
EPHX1 P07099 1/20 0.49
HPGD P15428 1/20 0.49
EPHX2 P34913 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CXCR4 P61073 1/20 0.48
SNCA P37840 1/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL21088517 0.89 PPM1D (0.57) POLBTAAR1ALDH1A1HDAC1PPM1D
SCHEMBL8807024 0.87 HDAC1 (0.67) POLBTAAR1ALDH1A1HDAC1KMT2A
SCHEMBL30444177 0.84 KDM1A (0.54) PPM1DEPHX1KDM1AMAOAMAOB
SCHEMBL11509945 0.80 ALDH1A1 (0.68) POLBALDH1A1HDAC1CXCR4
SCHEMBL9252404 0.80 ALDH1A1 (0.68) POLBALDH1A1HDAC1CXCR4
SCHEMBL6911153 0.80 ALDH1A1 (0.51) POLBALDH1A1KMT2AEPHX1LMNA
Acetic Acid SCHEMBL8071956 0.79 EPHX1 (0.60) POLBTAAR1ALDH1A1HDAC1KMT2A
SCHEMBL24574127 0.78 HRH3 (0.71) POLBTAAR1ALDH1A1HDAC1KMT2A
SCHEMBL1847296 0.78 HRH3 (0.71) POLBTAAR1ALDH1A1HDAC1KMT2A
SCHEMBL10789534 0.78 HRH3 (0.71) POLBTAAR1ALDH1A1HDAC1KMT2A

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
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed