SCHEMBL3674367

SCHEMBL3674367

NC(N)(C1CCCCCCCCC1)C(C1CCCCCCCCC1)C1CCCCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SHBG P04278 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL285922 0.76 EPHX1 (0.34) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL10704560 0.76 EPHX1 (0.42) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL10506630 0.74 EPHX1 (0.40) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL16236755 0.72 EPHX1 (0.39) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL28684942 0.72 SHBG (0.45) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL235282 0.70 EPHX1 (0.34) EPHX1TP53SHBG
SCHEMBL3357989 0.66 THRB (0.33)
SCHEMBL6839594 0.66 THRB (0.33)
SCHEMBL19044337 0.66 THRB (0.33)
SCHEMBL9618005 0.66 THRB (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed