SCHEMBL7948607

SCHEMBL7948607

CCC(C)(C)c1ccc(C(OP(O)O)(c2ccc(C(C)(C)CC)cc2C(C)(C)CC)C(CO)(CO)COP(O)O)c(C(C)(C)CC)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
MAPK1 P28482 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
UBE2N P61088 2/20 0.32
GLA P06280 1/20 0.32
MITF O75030 1/20 0.32

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
SCHEMBL7949661 0.85 RARG (0.32) MEN1MAPK1KMT2ASMN1; SMN2NPSR1
SCHEMBL190992 0.84 TRPV1 (0.30)
SCHEMBL190543 0.79 ESR1 (0.33) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL10715344 0.77 USP2 (0.32) ALDH1A1MAPT
SCHEMBL17707251 0.75 TRPV1 (0.33) MAPK1NPSR1MAPT
SCHEMBL4215102 0.74 ALDH1A1 (0.33) MEN1KMT2AALDH1A1MAPT
SCHEMBL3280462 0.74 NR5A2 (0.30)
SCHEMBL5474292 0.71 ESR1 (0.30)
SCHEMBL373758 0.70
SCHEMBL8858978 0.69 KDM4E (0.33)

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-6231804-B1 USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER CHISSO CORPORATION (JP) 2001-05-15 US disclosed
EP-0972800-A1 MODIFIED OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PREPARING THE SAME, AND MODIFIED OLEFIN (CO)POLYMER COMPOSITION MOLDING CHISSO CORPORATION (JP) 2000-01-19 EP disclosed