SCHEMBL8577397

SCHEMBL8577397

CCC(CC)(c1ccccc1)P(=O)(O)OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 1/20 0.42
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 3/20 0.39
KCNN4 O15554 1/20 0.39
LMNA P02545 1/20 0.39
HDAC1 Q13547 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
CES1 P23141 1/20 0.36
CYP2C19 P33261 2/20 0.35
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL17223191 0.84 POLB (0.44) PTPN1SMN1; SMN2POLBKCNN4TSHR
SCHEMBL17493606 0.84 PTPN1 (0.40) LAP3PTPN1SMN1; SMN2POLBKCNN4
Hydrogen Peroxide SCHEMBL8609891 0.81 PTPN1 (0.52) PTPN1SMN1; SMN2POLBHDAC1TSHR
SCHEMBL1556937 0.81 PTPN1 (0.52) PTPN1SMN1; SMN2POLBHDAC1TSHR
SCHEMBL11039412 0.80 PTPN1 (0.37) LAP3PTPN1SMN1; SMN2POLBLMNA
SCHEMBL8440827 0.79 SMN1; SMN2 (0.36) LAP3PTPN1SMN1; SMN2POLBHDAC1
SCHEMBL17169196 0.77 PTPN1 (0.47) LAP3PTPN1SMN1; SMN2POLBKCNN4
SCHEMBL5897912 0.76 PTPN1 (0.39) LAP3PTPN1SMN1; SMN2POLBKCNN4
SCHEMBL5897462 0.73 PTPN1 (0.47) LAP3PTPN1SMN1; SMN2POLBKCNN4
SCHEMBL2850979 0.73 PTPN1 (0.42) LAP3PTPN1SMN1; SMN2POLBKCNN4

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
US-5759691-A Phosphorus-modified coating compositions, a process for their preparation, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed