SCHEMBL7104936

SCHEMBL7104936

CC(C)(C)CC(C)(C)c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
CYP3A4 P08684 3/20 0.50
SHBG P04278 1/20 0.47
HIF1A Q16665 5/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 2/20 0.45
APAF1 O14727 2/20 0.45
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ERBB2 P04626 2/20 0.45
TP53 P04637 2/20 0.45
FYN P06241 2/20 0.45
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
ADRA2A P08913 2/20 0.45
HSPD1 P10809 2/20 0.45

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
SCHEMBL11237754 0.93 CYP3A4 (0.56) SMN1; SMN2CYP3A4SHBGHIF1AMAPT
SCHEMBL10435899 0.84 CYP3A4 (0.54) SMN1; SMN2CYP3A4SHBGHIF1AMAPT
SCHEMBL8038458 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CYP3A4HIF1AMAPTLMNA
SCHEMBL9441893 0.80 MAPT (0.49) SMN1; SMN2MAPTLMNATSHRTDP1
SCHEMBL9441933 0.80 MAPT (0.49) SMN1; SMN2MAPTLMNATSHRTDP1
SCHEMBL7104942 0.79 CNR2 (0.47) CNR1
SCHEMBL9377006 0.79 CYP3A4 (0.57) SMN1; SMN2CYP3A4SHBGHIF1AMAPT
SCHEMBL7942151 0.79 CYP3A4 (0.53) SMN1; SMN2CYP3A4SHBGHIF1AMAPT
SCHEMBL24633262 0.78 ALDH1A1 (0.50) SMN1; SMN2CYP3A4LMNATDP1MEN1
SCHEMBL42933 0.77 SHBG (0.60) SMN1; SMN2CYP3A4SHBGHIF1AMAPT

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
EP-0960931-B1 Processes for preparing surfactants XEROX CORP (US) 2003-10-08 EP disclosed
EP-0960931-A1 Processes for preparing surfactants Xerox Corporation (US) 1999-12-01 EP disclosed
US-5922897-A Surfactant processes XEROX CORPORATION (US) 1999-07-13 US disclosed