SCHEMBL9512905

SCHEMBL9512905

CCCCCCC(=O)Oc1ccc(OC(=O)CCCCCC)c(C#N)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
POLM Q9NP87 2/20 0.49
POLK Q9UBT6 2/20 0.49
POLL Q9UGP5 2/20 0.49
POLH Q9Y253 2/20 0.49
TOP2A P11388 2/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
AKR1B1 P15121 2/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
DGKA P23743 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42

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
SCHEMBL10717532 0.87 ALOX15 (0.50) ALOX15KMT2AKDM4EMEN1RECQL
Propylene Glycol SCHEMBL27934802 0.82 ALOX15 (0.43) ALOX15POLMPOLKPOLLPOLH
SCHEMBL27695424 0.79 ALOX15 (0.48) ALOX15POLMPOLKPOLLPOLH
SCHEMBL15548218 0.78 KMT2A (0.66) ALOX15POLMPOLKPOLLPOLH
SCHEMBL15548290 0.78 KMT2A (0.66) ALOX15POLMPOLKPOLLPOLH
SCHEMBL15549027 0.78 KMT2A (0.66) ALOX15POLMPOLKPOLLPOLH
SCHEMBL15548035 0.78 KMT2A (0.66) ALOX15POLMPOLKPOLLPOLH
SCHEMBL10571781 0.78 KMT2A (0.66) ALOX15POLMPOLKPOLLPOLH
SCHEMBL15549264 0.78 KMT2A (0.66) ALOX15POLMPOLKPOLLPOLH
SCHEMBL15546549 0.78 KMT2A (0.66) ALOX15POLMPOLKPOLLPOLH

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
EP-0281611-B1 LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT MERCK PATENT GMBH (DE) 1993-11-24 EP disclosed
EP-0281611-A1 LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT. MERCK PATENT GMBH (DE) 1988-09-14 EP disclosed