SCHEMBL2891600

SCHEMBL2891600

CCC(C)(C)c1cccc(OP(=O)(O)O)c1C(C)(C)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 7/20 0.46
INPP5A Q14642 4/20 0.46
INPP5B P32019 2/20 0.46
SRC P12931 5/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKT1 P31749 1/20 0.37
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
HTR1A P08908 1/20 0.35
BLM P54132 1/20 0.34
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL27859933 0.86 INPPL1 (0.46) INPPL1INPP5AINPP5BSRCALDH1A1
SCHEMBL6832733 0.84 INPPL1 (0.45) INPPL1INPP5AINPP5BSRCALDH1A1
SCHEMBL1548297 0.78 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCALDH1A1
SCHEMBL31059274 0.75 MEN1 (0.31) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL9328494 0.75 MEN1 (0.31) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL10916653 0.75 L3MBTL1 (0.51) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL1160044 0.74
SCHEMBL780023 0.74 CA2 (0.37) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2847955 0.74 MAPT (0.31) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL2719418 0.74 INPPL1 (0.43) INPPL1INPP5AINPP5BSRCALDH1A1

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
CN-103173194-A Stable imidazoline solutions AFTON CHEMICAL CORP 2013-06-26 CN disclosed
US-7682526-B2 Stable imidazoline solutions AFTON CHEMICAL CORPORATION (US) 2010-03-23 US disclosed
CN-101024629-A Stable imidazoline solutions AFTON CHEMICAL CORP (US) 2007-08-29 CN disclosed
EP-1806343-A2 Stable imidazoline solutions Afton Chemical Corporation (US) 2007-07-11 EP disclosed
US-20070145333-A1 Stable imidazoline solutions AFTON CHEMICAL CORPORATION 2007-06-28 US disclosed