SCHEMBL8207530

SCHEMBL8207530

C=COC(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ XBP1 P17861 1/20 0.50
▸ KIF11 P52732 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HDAC3 O15379 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.49
▸ TRPV1 Q8NER1 7/20 0.48
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47

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
SCHEMBL2096639 0.81 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12994621 0.81 TGM2 (0.59) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2054672 0.80 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3797430 0.78 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10176299 0.77 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5036894 0.77 TGM2 (0.69) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL13604294 0.77 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8767860 0.77 RAD51 (0.44) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4153167 0.77 TGM2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL8766519 0.77 RXFP1 (0.54) SMN1; SMN2MEN1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396364-B1 Copolymers of vinyl carbonate and vinyl carbamate as contact lens material BAUSCH & LOMB (US) 1997-06-11 — — EP claimed
US-5610252-A Vinyl carbonate and vinyl carbamate contact lens material monomers BAUSCH & LOMB INCORPORATED (US) 1997-03-11 — — US claimed
EP-0396364-A2 Novel vinyl carbonate and vinyl carbamate contact lens material monomers BAUSCH & LOMB INCORPORATED (US) 1990-11-07 — — EP claimed
US-6166236-A Vinyl carbonate and vinyl carbamate contact lens material monomers BAUSCH & LOMB INCORPORATED (US) 2000-12-26 — — US disclosed
EP-0396364-B1 Copolymers of vinyl carbonate and vinyl carbamate as contact lens material BAUSCH & LOMB (US) 1997-06-11 — — EP disclosed
US-5610252-A Vinyl carbonate and vinyl carbamate contact lens material monomers BAUSCH & LOMB INCORPORATED (US) 1997-03-11 — — US disclosed
US-5070215-A Gas permeable contact lenses BAUSCH & LOMB INCORPORATED (US) 1991-12-03 — — US disclosed
EP-0396364-A2 Novel vinyl carbonate and vinyl carbamate contact lens material monomers BAUSCH & LOMB INCORPORATED (US) 1990-11-07 — — EP disclosed
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