SCHEMBL27484253

SCHEMBL27484253

CCCCCOC(=O)C(C(=O)c1c(C)cc(C)cc1C)c1ccccc1.O=P

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
MMP8 P22894 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL27499046 0.99 TSHR (0.47) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27519992 0.99 TSHR (0.47) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7176995 0.96 TSHR (0.45) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27499352 0.96 TSHR (0.44) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7182417 0.95 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7184554 0.95 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7182655 0.95 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7186690 0.95 TSHR (0.46) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL7189184 0.93 TSHR (0.43) TSHRTP53CYP3A4MAPK1LMNA
SCHEMBL27486010 0.91 TSHR (0.47) 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