SCHEMBL8023503

SCHEMBL8023503

C=C(C)C(=O)OCCOC(=O)C(=C)CCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL435826 0.88 TDP1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL8020302 0.88 LMNA (0.44) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL148938 0.88 LMNA (0.60) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6705875 0.87 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL146245 0.86 POLB (0.55) SMN1; SMN2LMNATDP1NPC1RAB9A
Lithium SCHEMBL30708617 0.86 LMNA (0.58) SMN1; SMN2LMNATDP1NPC1RAB9A
SCHEMBL2582827 0.86 ALDH1A1 (0.49) SMN1; SMN2MAPK1SLC6A3LMNATDP1
SCHEMBL232155 0.85 POLB (0.57) SMN1; SMN2LMNATDP1NPC1RAB9A
SCHEMBL1562514 0.85 POLB (0.57) SMN1; SMN2LMNATDP1NPC1RAB9A
SCHEMBL11133561 0.85 ALOX5 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000034804-A1 HIGH REFRACTIVE INDEX HYDROGEL COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-06-15 WO disclosed