SCHEMBL4833869

SCHEMBL4833869

CC(O)C(C)O.CC(OC(=O)c1ccccc1Br)C(C)OC(=O)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.40
USP2 O75604 1/20 0.40
MIF P14174 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL1785248 0.95 TSHR (0.52) TSHRHTTL3MBTL1CASP3SENP8
SCHEMBL1928503 0.84 NPC1 (0.54) TSHRHTTL3MBTL1CASP3SENP8
SCHEMBL30784110 0.84 NPC1 (0.54) TSHRHTTL3MBTL1CASP3SENP8
SCHEMBL31454731 0.79 TSHR (0.59) TSHRHTTL3MBTL1CASP3SENP8
SCHEMBL1785225 0.79 TSHR (0.59) TSHRHTTL3MBTL1CASP3SENP8
SCHEMBL4577700 0.79 TSHR (0.55) TSHRHTTL3MBTL1CASP3SENP8
SCHEMBL5081262 0.78 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AHPGDKDM4E
SCHEMBL1783465 0.76 ALDH1A1 (0.60) TSHRHTTL3MBTL1ALDH1A1MAPT
SCHEMBL6912044 0.75 TSHR (0.58) TSHRHTTL3MBTL1CASP3SENP8
SCHEMBL6910369 0.75 TSHR (0.58) TSHRHTTL3MBTL1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US claimed
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US disclosed