SCHEMBL5604399

SCHEMBL5604399

C1=CC2CC1CC2Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ EPHX2 P34913 4/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL31472630 0.70 GAA (0.54) ALDH1A1TDP1GAAKDM4ENPC1
SCHEMBL31472622 0.70 GAA (0.54) ALDH1A1TDP1GAAKDM4ENPC1
SCHEMBL24575404 0.69 KDM4E (0.48) ALDH1A1TDP1KDM4ETSHRNPC1
SCHEMBL23640556 0.69 KDM4E (0.48) ALDH1A1TDP1KDM4ETSHRNPC1
SCHEMBL29127134 0.69 ALDH1A1 (0.41) ALDH1A1TDP1GAATSHRNPC1
SCHEMBL17980366 0.69 FUCA1 (0.41) ALDH1A1TDP1TSHRNPC1RAB9A
SCHEMBL6426049 0.69 ALDH1A1 (0.41) ALDH1A1TDP1GAAKDM4ETSHR
SCHEMBL8523728 0.67 THRB (0.61) ALDH1A1TDP1GAAKDM4ENPC1
SCHEMBL1238556 0.66 — —
SCHEMBL30887532 0.66 ALDH1A1 (0.65) ALDH1A1TDP1GAAKDM4ETSHR

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-0997482-B1 MODIFIED CYCLOOLEFIN ADDITION POLYMER AND CURABLE RESIN COMPOSITION CONTAINING THE SAME NIPPON ZEON CO (JP) 2007-01-17 — — EP disclosed
US-6346581-B1 CURABLE COMPOSITION COMPRISING POLYMER OBTAINED BY INTRODUCING FUNCTIONAL GROUP INTO CYCLOOLEFIN ADDITION POLYMER CONSISTING OF UNITS DERIVED FROM CYCLOOLEFIN MONOMERS WITH AND WITHOUT SIDE CHAIN HAVING 4 OR MORE CARBONS, HARDENING AGENT NIPPON ZEON CO., LTD (JP) 2002-02-12 — — US disclosed
EP-0997482-A1 MODIFIED CYCLOOLEFIN ADDITION POLYMER AND CURABLE RESIN COMPOSITION CONTAINING THE SAME NIPPON ZEON CO., LTD. (JP) 2000-05-03 — — EP disclosed
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