SCHEMBL7121045

SCHEMBL7121045

COc1cccc(C2(c3cccc(OC)c3OC)OCCO2)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
PDE4B Q07343 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NFE2L2 Q16236 2/20 0.37
HTR1A P08908 2/20 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
SCHEMBL21624234 0.74 KDM4E (0.34) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL7121039 0.73 ALDH1A1 (0.36) TXNRD1TXNRD3TXNRD2SMN1; SMN2KDM4E
Bromide SCHEMBL1307432 0.71 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL25434306 0.71 CA1 (0.61) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL27753904 0.71 CA1 (0.61) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL151213 0.71 CA1 (0.61) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL9730312 0.69 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ELMNAMEN1KMT2A
SCHEMBL3307015 0.69 CNR2 (0.51) LMNAMEN1KMT2ASIGMAR1HTT
Ammonia Solution, Strong SCHEMBL4268652 0.69 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ELMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL31658961 0.69 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ELMNAMEN1KMT2A

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-0875247-B1 Method for controlling the plasma level of lipoproteins TNO (NL) 2003-05-28 EP disclosed
US-6444664-B1 ANTAGONIST OF PLATELET ACTIVATING FACTOR; BENZO- OR THIENOTRIAZOLO-DIAZEPINE OR BENZODIAZEPINE DERIVATIVE NEDERLANDSE ORGANISATIE VOOR TOEGEPAST - NATUURWETEN SCHAPPELIJK ONDERZOEK (TNO) (NL) 2002-09-03 US disclosed
EP-0875247-A1 Method for controlling the plasma level of lipoproteins NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1998-11-04 EP disclosed