SCHEMBL9498554

SCHEMBL9498554

C=CCC(C)O[SiH](Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
MAOA P21397 1/20 0.31
PTGS1 P23219 1/20 0.31
NPC1 O15118 1/20 0.30
MTOR P42345 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9496220 0.77 LMNA (0.32) LMNAMAOAPTGS1
SCHEMBL4633428 0.77 MTNR1A (0.46) CYP2C19LMNAALDH1A1SMN1; SMN2MTNR1A
SCHEMBL2168155 0.76 CYP2C19 (0.36) CYP2C19LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL1609542 0.74 CA4 (0.39) LMNAALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL28651071 0.71 CA4 (0.36) LMNAMAOAPTGS1
SCHEMBL15841299 0.70
SCHEMBL5393631 0.69 HCAR2 (0.36) LMNAALDH1A1PTGS1
SCHEMBL22654269 0.69 CYP3A4 (0.36) ALDH1A1SMN1; SMN2KMT2ACYP3A4MAPK1
SCHEMBL1831053 0.67
SCHEMBL18595399 0.67 RCE1 (0.43) CYP2C19SMN1; SMN2KMT2ACYP2D6CYP2C9

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
EP-0267794-B1 PROCESS FOR PREPARING POLYOLEFINS Nippon Petrochemicals Co., Ltd. (JP) 1993-05-05 EP disclosed
EP-0267794-A2 Process for preparing polyolefins Nippon Petrochemicals Co., Ltd. (JP) 1988-05-18 EP disclosed
US-4619981-A PULVERIZING MAGNESIUM HALIDE, SILANOL, AROMATIC ALCOHOL AND ETHER, POLYMERIZATION CATALYSTS NIPPON OIL COMPANY, LIMITED (JP) 1986-10-28 US disclosed
US-4525555-A TITANIUM COMPOUND SUPPORTED ON SOLID REACTION PRODUCT OF MAGNESIUM HALIDE, SILOXANES, ORGANIC COMPOUNDS NIPPON OIL COMPANY, LIMITED (JP) 1985-06-25 US disclosed