SCHEMBL6177972

SCHEMBL6177972

[CH2]C(OCCCC(C)C)OCCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.32
RARB P10826 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
SCHEMBL6178196 0.83 ALDH1A1 (0.40) ALDH1A1
SCHEMBL128395 0.78 LMNA (0.41) LMNAALDH1A1RARB
SCHEMBL28488320 0.76 LMNA (0.39) LMNAALDH1A1RARB
SCHEMBL22381088 0.74 LMNA (0.38) LMNAALDH1A1RARB
SCHEMBL5961072 0.74 LMNA (0.38) LMNAALDH1A1RARB
SCHEMBL17780071 0.74 LMNA (0.38) LMNAALDH1A1RARB
SCHEMBL2369552 0.74 LMNA (0.38) LMNAALDH1A1RARB
SCHEMBL1527700 0.72 ADRB2 (0.41) LMNAALDH1A1
SCHEMBL1537709 0.72
SCHEMBL11955263 0.72 LMNA (0.36) LMNAALDH1A1

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-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed