SCHEMBL9816992

SCHEMBL9816992

CCCOc1ccc(C(CC)(c2ccc(O)c(-c3ccccc3)c2)c2ccc(O)c(-c3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.41
PDK2 Q15119 1/20 0.40
LTA4H P09960 2/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGAM O43451 4/20 0.37
GAA P10253 4/20 0.37
SI P14410 4/20 0.37
MGAM2 Q2M2H8 4/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
BACE1 P56817 3/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9817030 0.91 HDAC8 (0.40) HDAC8PDK2LTA4HMAPTNPC1
SCHEMBL9817006 0.90 LMNA (0.44) PDK2LTA4HNPC1RAB9ARELA
SCHEMBL9816989 0.89 LTA4H (0.40) HDAC8PDK2LTA4HMEN1KMT2A
SCHEMBL9817134 0.88 CNR1 (0.41) HDAC8PDK2LTA4HMEN1KMT2A
SCHEMBL9817117 0.87 HDAC8 (0.42) HDAC8PDK2LTA4HMAPTNPC1
SCHEMBL9817130 0.86 ESR1 (0.46) HDAC8PDK2LTA4HMAPTNPC1
SCHEMBL9713495 0.86 NPC1 (0.40) LTA4HNPC1RAB9ABACE1POLB
SCHEMBL9713890 0.86 BACE1 (0.48) HDAC8MAPTNPC1NFKB1RAB9A
SCHEMBL2859474 0.85 BACE1 (0.47) ALDH1A1BACE1
SCHEMBL9816984 0.82 LMNA (0.42) PDK2LTA4HNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277627-B1 POLYFORMAL RESINS AND PROCESS FOR PRODUCING SAID RESINS IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-10-23 EP disclosed
US-4801679-A Polyformal resin and process for producing said resin IDEMITSU KOSAN CO., LTD. (JP) 1989-01-31 US disclosed
EP-0277627-A1 Polyformal resins and process for producing said resins IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-08-10 EP disclosed