SCHEMBL28069040

SCHEMBL28069040

CC(C)(C)CC(C)(C)c1ccc(OP(=O)([O-])[O-])c(C(C)(C)CC(C)(C)C)c1.[Mg+2]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.39
MAPK1 P28482 6/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
NPSR1 Q6W5P4 5/20 0.39
ALDH1A1 P00352 2/20 0.39
SHBG P04278 1/20 0.37
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 2/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 6/20 0.36
HTT P42858 3/20 0.36
UBE2N P61088 3/20 0.36
GLA P06280 1/20 0.36
MITF O75030 1/20 0.36
RAD52 P43351 3/20 0.35
STAT3 P40763 1/20 0.35
RCE1 Q9Y256 1/20 0.35
MDH1 P40925 4/20 0.34
MDH2 P40926 4/20 0.34

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
SCHEMBL28084286 0.83 SHBG (0.40) SMN1; SMN2MAPK1MEN1KMT2ANPSR1
SCHEMBL28901114 0.77 CYP3A4 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1SHBG
SCHEMBL28308871 0.77 CA1 (0.39) SMN1; SMN2MAPK1MEN1KMT2ANPSR1
Phosphoric Acid SCHEMBL28069041 0.76 SHBG (0.41) SMN1; SMN2MAPK1MEN1KMT2ASHBG
SCHEMBL6739022 0.75 CA1 (0.40) SMN1; SMN2MAPK1MEN1KMT2ANPSR1
SCHEMBL7456553 0.75 SHBG (0.40) SMN1; SMN2MAPK1MEN1KMT2ANPSR1
SCHEMBL10809182 0.75 SHBG (0.40) SMN1; SMN2MAPK1MEN1KMT2ANPSR1
SCHEMBL3150998 0.74 SHBG (0.42) SMN1; SMN2MAPK1MEN1KMT2ANPSR1
Lithium Ion SCHEMBL21541943 0.74 CA1 (0.39) SMN1; SMN2MAPK1MEN1KMT2ANPSR1
SCHEMBL28468987 0.74 CA1 (0.39) SMN1; SMN2MAPK1MEN1KMT2ANPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104448541-B Polypropylene composition and polypropylene material 中国石油化工股份有限公司 2017-02-01 CN disclosed
CN-104250397-B A kind of polypropene composition and polypropylene knotting packaging film 中国石油化工股份有限公司 2016-12-28 CN disclosed
CN-105623078-A Polymer membrane and preparation method thereof CHINA PETROLEUM & CHEM CORP 2016-06-01 CN disclosed
CN-105623074-A Non-woven fabric raw material and preparation method thereof, and preparation method of non-woven fabric CHINA PETROLEUM & CHEM CORP 2016-06-01 CN disclosed