SCHEMBL28117868

SCHEMBL28117868

CC(C)(C)c1cc(Cc2ccccc2)cc(C(C)(C)C)c1O.OCC(CO)(CO)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TSHR P16473 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
BLM P54132 2/20 0.51
ATM Q13315 2/20 0.51
HIF1A Q16665 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GMNN O75496 1/20 0.51
GABBR2 O75899 1/20 0.51
TP53 P04637 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
PMP22 Q01453 1/20 0.51

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
SCHEMBL1187217 0.92 MEN1 (0.57) ALDH1A1TSHRMEN1KMT2AMAPK1
Benzene SCHEMBL9807217 0.84 ALDH1A1 (0.59) ALDH1A1TSHRMEN1KMT2AMAPK1
Hypophosphorous Acid SCHEMBL6556020 0.84 GAA (0.54) ALDH1A1TSHRMEN1KMT2AMAPK1
Phenol SCHEMBL20657088 0.83 MEN1 (0.55) ALDH1A1TSHRMEN1KMT2AMAPK1
Diethyl Sulfide SCHEMBL28247409 0.83 MEN1 (0.49) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL9338699 0.82 ALDH1A1 (0.57) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL12430324 0.82 HSPA5 (0.65) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL5009340 0.82 CYP2C9 (0.50) ALDH1A1TSHRMEN1KMT2AMAPK1
SCHEMBL9817016 0.82 HSPA5 (0.60) MEN1KMT2AHIF1ACYP2C9CYP2C19
Hypophosphorous Acid SCHEMBL10825638 0.81 MEN1 (0.51) ALDH1A1TSHRMEN1KMT2AMAPK1

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
CN-106414591-A Elastomer composition comprising polyolefin elastomer 宝洁公司 2017-02-15 CN disclosed
CN-106414073-A Laminate comprising polyolefin elastic film layer 宝洁公司 2017-02-15 CN disclosed
CN-104768744-B The elastomer film compositions fit for tensile layer and the combination of the improvement of binding agent 宝洁公司 2016-12-07 CN disclosed