SCHEMBL9506003

SCHEMBL9506003

CC(C)OP(=O)(Cc1cccc(CCl)c1)OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.37
PGK1 P00558 3/20 0.36
PGK2 P07205 3/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HMGCR P04035 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ACP3 P15309 1/20 0.31

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
SCHEMBL2034729 0.81 MAOB (0.41) GLAPGK1PGK2ALDH1A1L3MBTL1
SCHEMBL5403459 0.79 ALDH1A1 (0.52) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL9502876 0.79 CCNT1 (0.42) TSHR
SCHEMBL2032607 0.76 TSHR (0.50) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9503578 0.76 CYP4F2 (0.37) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL9503571 0.76 CYP4F2 (0.37) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL9502834 0.74 NPSR1 (0.46) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL9112737 0.71 ALDH1A1 (0.47) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL9165273 0.71 GLA (0.39) GLAPGK1PGK2MEN1KMT2A
SCHEMBL225197 0.70 TSHR (0.54) TSHRALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550574-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992005180-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-02 WO disclosed