SCHEMBL6132416

SCHEMBL6132416

CCCOC1CCC(C2CCC(N3CCN(c4ccc(C(=O)OCC)cc4)CC3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSP90AA1 P07900 1/20 0.40
MAPK1 P28482 1/20 0.40

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
Hydrochloric Acid SCHEMBL6132578 0.88 ALOX15 (0.47) ALDH1A1POLBMEN1KMT2AITGB3
SCHEMBL63474 0.88 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL6538636 0.87 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL6538433 0.87 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL6538435 0.87 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL7323856 0.86 ALDH1A1 (0.50) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL6132359 0.85 ALDH1A1 (0.47) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL6132432 0.85 ALDH1A1 (0.47) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL6132488 0.83 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2AHTT
SCHEMBL6132487 0.83 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2AHTT

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed