SCHEMBL28067396

SCHEMBL28067396

CC(C)(COCC1CO1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 5/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.46
PPARG P37231 1/20 0.46
GLA P06280 1/20 0.45
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
MGLL Q99685 2/20 0.37

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
SCHEMBL11663394 0.88 MEN1 (0.55) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL15667509 0.88 MEN1 (0.55) MEN1KMT2ATSHRMAPK1TDP1
Tert-Butylbenzene SCHEMBL266495 0.84 MEN1 (0.58) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL29227871 0.84 MEN1 (0.58) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL8847340 0.84 MEN1 (0.71) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL730709 0.84 MEN1 (0.51) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL10040055 0.84 MEN1 (0.51) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL24032770 0.79 TSHR (0.56) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL19601177 0.79 TDP1 (0.53) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL15667508 0.79 MEN1 (0.52) MEN1KMT2ATSHRMAPK1TDP1

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-105492487-B Coating composition 陶氏环球技术有限责任公司 2018-02-16 CN disclosed
CN-105492487-A Coating composition DOW GLOBAL TECHNOLOGIES INC 2016-04-13 CN disclosed