SCHEMBL20194757

SCHEMBL20194757

CC(O)(c1ccccc1)c1cccc(-c2cccc(C(=O)c3ccccc3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CNR2 P34972 2/20 0.49
KMO O15229 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SRD5A2 P31213 1/20 0.45
PBRM1 Q86U86 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.43
PTGS1 P23219 2/20 0.43
CXCR1 P25024 2/20 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
SCHEMBL6982792 0.81 RXRA (0.53) RXRARXRBCNR2KMOCYP3A4
SCHEMBL8438374 0.81 ATM (0.77) ATMTDP1L3MBTL1CNR2KMO
SCHEMBL11183749 0.79 ATM (0.74) ATMTDP1L3MBTL1CNR2KMO
SCHEMBL3364840 0.78 RXRA (0.51) RXRARXRBKMOSRD5A2HPGD
SCHEMBL548283 0.78 L3MBTL1 (0.61) ATMTDP1L3MBTL1SRD5A2PBRM1
SCHEMBL16858233 0.77 KMO (0.72) RXRARXRBATMTDP1L3MBTL1
SCHEMBL3684740 0.76 ATM (0.63) RXRARXRBATMTDP1L3MBTL1
SCHEMBL12551733 0.76 ATM (0.68) RXRARXRBATMTDP1L3MBTL1
SCHEMBL7325996 0.76 L3MBTL1 (0.57) ATMTDP1L3MBTL1SRD5A2PBRM1
SCHEMBL11432364 0.75 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTCYP3A4

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-2081682-B1 LITHIUM REAGENT POROUS METAL OXIDE COMPOSITIONS SIGNA CHEMISTRY INC (US) 2018-05-30 EP disclosed