SCHEMBL4410027

SCHEMBL4410027

C1=C(c2ccccc2)C(c2ccccc2)Oc2c1c1ccccc1c1ccccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.32
RAB9A P51151 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL13220102 0.75 ALDH1A1 (0.42) LMNAALDH1A1CFTRGOPCKDM4E
SCHEMBL1697379 0.72 KMT2A (0.51) LMNAALDH1A1CFTRGOPCKDM4E
SCHEMBL6221726 0.69 ADK (0.36) LMNAALDH1A1CFTRGOPCKDM4E
SCHEMBL4058416 0.61 ALDH1A1 (0.42) LMNAALDH1A1KDM4EMAPK1MEN1
Triphenylene SCHEMBL29177868 0.58 ALDH1A1 (0.75) ALDH1A1MAPK1CA2RAB9A
Triphenylene SCHEMBL28013322 0.58 ALDH1A1 (0.75) ALDH1A1MAPK1CA2RAB9A
Triphenylene SCHEMBL29177860 0.58 ALDH1A1 (0.75) ALDH1A1MAPK1CA2RAB9A
SCHEMBL31650964 0.56 ALDH1A1 (0.56) LMNAALDH1A1KDM4EMAPK1MEN1
SCHEMBL29253910 0.56 KDM4E (0.45) LMNAALDH1A1KDM4EMAPK1MEN1
Triphenylene SCHEMBL28735679 0.55 HPRT1 (0.53) LMNAALDH1A1MAPK1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090157180-A1 MEDICAL IMPLANT CONTAINING DETECTION ENHANCING AGENT AND METHOD FOR DETECTING CONTENT LEAKAGE SCHRAGA STEVEN 2009-06-18 US disclosed