SCHEMBL7845792

SCHEMBL7845792

OCCC(CCO)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 3/20 0.35
SHBG P04278 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
SCHEMBL11374945 0.97 ALDH1A1 (0.42) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL13809529 0.89 ALDH1A1 (0.37) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL16753944 0.88 THRB (0.32)
SCHEMBL1111243 0.87 ALDH1A1 (0.39) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL11002215 0.87 SHBG (0.41) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL16281688 0.87 ALDH1A1 (0.44) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL11002831 0.84 SHBG (0.48) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL11001588 0.83 SHBG (0.39) ALDH1A1EPHX1SHBG
SCHEMBL10999554 0.82 ALDH1A1 (0.36) ALDH1A1TP53KDM4EGMNNLMNA
SCHEMBL10710749 0.82 SHBG (0.38) LMNAEPHX1SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
CN-1046725-C fused imidazole compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-11-24 CN disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed
CN-1151161-A fused imidazole compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-04 CN disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 WO disclosed