SCHEMBL11212657

SCHEMBL11212657

COCCOCCOC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RELA Q04206 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPA1 O75762 2/20 0.40
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CHAT P28329 2/20 0.37
NFE2L2 Q16236 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 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
SCHEMBL8093709 0.94 MEN1 (0.50) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4543864 0.86 RELA (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13686299 0.84 MAOB (0.48) ALDH1A1SMN1; SMN2RELAMEN1KMT2A
SCHEMBL2898682 0.84 RELA (0.46) ALDH1A1KDM4ERAB9ASMN1; SMN2RELA
SCHEMBL7541883 0.82 MEN1 (0.46) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL25430836 0.82 MEN1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7060730 0.82 MEN1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL7058227 0.82 MEN1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL28174614 0.81 LTA4H (0.40) ALDH1A1RELAMEN1KMT2ACHRNA7
SCHEMBL13686297 0.79 ALDH1A1 (0.39) ALDH1A1RELAMEN1KMT2ATRPA1

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-0044832-A4 PRODUCTION OF POLY(POLYISOCYANATE SILICATE)SOLID OR CELLULAR SOLID UTILIZING ALKALI METAL SILICATES. BLOUNT DAVID H 1982-07-06 EP disclosed
EP-0044832-A1 PRODUCTION OF POLY(POLYISOCYANATE SILICATE)SOLID OR CELLULAR SOLID UTILIZING ALKALI METAL SILICATES BLOUNT, David H. (US) 1982-02-03 EP disclosed
WO-1981002300-A1 PRODUCTION OF POLY(POLYISOCYANATE SILICATE)SOLID OR CELLULAR SOLID UTILIZING ALKALI METAL SILICATES BLOUNT D 1981-08-20 WO disclosed