SCHEMBL9817030

SCHEMBL9817030

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
PDK2 Q15119 1/20 0.39
LTA4H P09960 2/20 0.38
ESR1 P03372 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MGAM O43451 4/20 0.37
GAA P10253 4/20 0.37
SI P14410 4/20 0.37
MGAM2 Q2M2H8 4/20 0.37

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
SCHEMBL9816989 0.93 LTA4H (0.40) HDAC8PDK2LTA4HESR1MEN1
SCHEMBL9817134 0.92 CNR1 (0.41) HDAC8PDK2LTA4HESR1MEN1
SCHEMBL9816992 0.91 HDAC8 (0.41) HDAC8PDK2LTA4HALDH1A1MEN1
SCHEMBL9816984 0.91 LMNA (0.42) PDK2LTA4HESR1ALDH1A1LMNA
SCHEMBL9713951 0.88 KIF11 (0.47) ESR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9713613 0.88 THRA (0.39) LTA4HESR1NPC1RAB9ABACE1
SCHEMBL2867989 0.87 BACE1 (0.44) ESR1ALDH1A1BACE1
SCHEMBL9817117 0.86 HDAC8 (0.42) HDAC8PDK2LTA4HALDH1A1MEN1
SCHEMBL9817130 0.85 ESR1 (0.46) HDAC8PDK2LTA4HESR1ALDH1A1
SCHEMBL9817071 0.84 LMNA (0.41) LTA4HESR1ALDH1A1LMNAMEN1

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