SCHEMBL9879632

SCHEMBL9879632

C=C[CH]c1ccccc1Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.60
GAA P10253 2/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 3/20 0.51
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.42
LTA4H P09960 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
HRH1 P35367 1/20 0.39
CTNNB1 P35222 1/20 0.39
RIPK1 Q13546 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL298766 0.83 LMNA (0.64) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL30618855 0.83 LMNA (0.64) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL9064363 0.77 LMNA (0.67) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL5943455 0.77 LMNA (0.67) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL2094087 0.76 HTT (0.61) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL2094084 0.76 HTT (0.61) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL8693298 0.75 NFE2L2 (0.52) LMNAKMT2AALDH1A1HPGDCYP1A2
SCHEMBL95238 0.75 LMNA (1.00) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL5407816 0.75 LMNA (0.64) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL29361707 0.75 LMNA (1.00) LMNAGAAKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1089614-A Alpha-phosphonosulfonate squalene synthetase inhibitors and method SQUIBB & SONS INC (US) 1994-07-20 CN claimed
EP-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP claimed
EP-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP disclosed
EP-0003021-A1 Cyano-oligomer compositions and processes thereof GAF CORPORATION (US) 1979-07-25 EP disclosed
US-4128536-A ULTRAVIOLET LIGHT ABSORBERS GAF CORPORATION (US) 1978-12-05 US disclosed