SCHEMBL8307738

SCHEMBL8307738

COC(=O)c1ccc(OCc2ccccc2)c2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
BTK Q06187 1/20 0.46
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL21564212 0.82 NR4A2 (0.58) BRD4USP2ALDH1A1TSHRHSD17B10
SCHEMBL27527029 0.80 LTA4H (0.46) BRD4MAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL2588280 0.80 PIM3 (0.50) PIM1PIM3BTKALDH1A1HPGD
SCHEMBL8301795 0.79 PIM3 (0.43) MAPTSMN1; SMN2PIM1PIM3BTK
SCHEMBL8305581 0.78 MAP3K7 (0.52) BRD4MAPTBTKALDH1A1HPGD
SCHEMBL8305578 0.78 MAP3K7 (0.52) BRD4MAPTBTKALDH1A1HPGD
SCHEMBL10679463 0.77 BTK (0.42) BRD4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL7497434 0.76 PIM3 (0.55) MAPTL3MBTL1PIM1PIM3ALDH1A1
SCHEMBL19610526 0.76 HPGD (0.57) BRD4MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL978857 0.75 HTT (0.64) BRD4MAPTSMN1; SMN2L3MBTL1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469833-B1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY CO ELI (GB) 1999-09-08 EP disclosed
CN-1040108-C Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1998-10-07 CN disclosed
US-5281593-A Pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1994-01-25 US disclosed
CN-1061413-A Medicinal compound LILLY INDUSTRIES LTD (GB) 1992-05-27 CN disclosed
EP-0469833-A1 N-Benzyl-Indoles, processes for their preparation and pharmaceutical compositions containing them LILLY INDUSTRIES LIMITED (GB) 1992-02-05 EP disclosed