SCHEMBL27486010

SCHEMBL27486010

CCCCCOC(=O)C(C(=O)c1c(C)cccc1C)c1ccccc1.O=P

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MMP8 P22894 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL27484929 0.99 TSHR (0.48) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27483917 0.99 TSHR (0.48) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27499980 0.96 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7183557 0.95 TSHR (0.47) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7187846 0.94 TSHR (0.48) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7182519 0.94 TSHR (0.48) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7178266 0.94 TSHR (0.48) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7175211 0.94 TSHR (0.48) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27484258 0.92 NPC1 (0.42) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27484253 0.91 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA

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
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 CN disclosed