SCHEMBL9577606

SCHEMBL9577606

C=C(CC)C(=O)OO.N#CC=CC=Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.37
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL1765980 0.87 MCL1 (0.40) MCL1LMNASMN1; SMN2NPC1L3MBTL1
SCHEMBL9578322 0.86 CYP3A4 (0.41) MCL1LMNASMN1; SMN2NPC1L3MBTL1
SCHEMBL8818223 0.81 KMT2A (0.45) MCL1LMNASMN1; SMN2NPC1L3MBTL1
SCHEMBL7675813 0.79 ALDH1A1 (0.47) LMNASMN1; SMN2NPC1L3MBTL1RAB9A
Methacrylic Acid SCHEMBL437865 0.78 CYP3A4 (0.46) MCL1LMNASMN1; SMN2ALDH1A1KDM4E
Methacrylic Acid SCHEMBL6906597 0.78 CYP3A4 (0.46) MCL1LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL440147 0.78 LMNA (0.44) MCL1LMNASMN1; SMN2NPC1L3MBTL1
Bicarbonate SCHEMBL16751853 0.78 MAOB (0.54) MCL1LMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL182733 0.78 HDAC3 (0.40) MCL1LMNAKDM4ECYP3A4HDAC3
SCHEMBL9067801 0.78 HDAC3 (0.40) MCL1LMNAKDM4ECYP3A4HDAC3

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-0262249-B1 ALCOHOL CONTROL OF LIGHTLY CROSSLINKED FOAMED POLYMER PRODUCTION THE DOW CHEMICAL COMPANY (US) 1993-08-25 EP claimed
US-4762860-A REVERSIBLE GAS YIELDING CROSSLINKING REACTION, EXTRUSION THE DOW CHEMICAL COMPANY (US) 1988-08-09 US claimed
EP-0262249-A1 Alcohol control of lightly crosslinked foamed polymer production THE DOW CHEMICAL COMPANY (US) 1988-04-06 EP claimed
US-4694025-A REVERSIBLE GAS-YIELDING CROSS LINKING REACTION PRIOR TO EXTRUSION FOAMING THE DOW CHEMICAL COMPANY (US) 1987-09-15 US claimed
EP-0262249-B1 ALCOHOL CONTROL OF LIGHTLY CROSSLINKED FOAMED POLYMER PRODUCTION THE DOW CHEMICAL COMPANY (US) 1993-08-25 EP disclosed
US-4762860-A REVERSIBLE GAS YIELDING CROSSLINKING REACTION, EXTRUSION THE DOW CHEMICAL COMPANY (US) 1988-08-09 US disclosed
EP-0262249-A1 Alcohol control of lightly crosslinked foamed polymer production THE DOW CHEMICAL COMPANY (US) 1988-04-06 EP disclosed
US-4694025-A REVERSIBLE GAS-YIELDING CROSS LINKING REACTION PRIOR TO EXTRUSION FOAMING THE DOW CHEMICAL COMPANY (US) 1987-09-15 US disclosed