SCHEMBL9506936

SCHEMBL9506936

CCOC(c1cccc2c1C(C)(C)CCC2(C)C)P(=O)(OCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RXRA P19793 1/20 0.30
HNF4A P41235 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9318355 0.75 RXRA (0.41) POLBRXRAHNF4ATDP1
SCHEMBL9483500 0.63 RXRA (0.42) POLBRXRAHNF4A
SCHEMBL9484572 0.63 POLB (0.52) POLBL3MBTL1MEN1KMT2ARXRA
SCHEMBL11249732 0.61 LMNA (0.51) POLBLMNAALDH1A1MAPTKDM4E
SCHEMBL9379226 0.61 KMT2A (0.51) POLBLMNAALDH1A1MAPTPTPN2
SCHEMBL5665343 0.61 POLB (0.46) POLBLMNAALDH1A1MAPTCYP1A2
SCHEMBL16800062 0.60 POLB (0.62) POLBLMNAALDH1A1MAPTKDM4E
SCHEMBL16513211 0.59 POLB (0.44) POLBLMNAALDH1A1MAPTPTPN2
SCHEMBL9019972 0.59 CA12 (0.49) POLBLMNAALDH1A1MAPTPTPN2
SCHEMBL8582885 0.58 CA12 (0.51) POLBLMNAALDH1A1MAPTPTPN2

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
EP-0382078-B1 AROMATIC KETO COMPOUNDS, THEIR PREPARATION AND MEDICINAL AS WELL AS COSMETIC PREPARATIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
EP-0382078-A1 Aromatic keto compounds, their preparation and medicinal as well as cosmetic preparations containing them BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed