SCHEMBL6132953

SCHEMBL6132953

COCCCCOc1ccc(C2CCN(c3ccc(N4CCN(c5ccc(C(=O)OC)cc5)CC4)cc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HIF1A Q16665 1/20 0.47
ACACB O00763 2/20 0.46
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL6132902 0.90 USP2 (0.49) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL6132667 0.81 HDAC3 (0.53) MAPTHPGDTSHRHSD17B10SMN1; SMN2
SCHEMBL6538509 0.81 THRA (0.49) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL6132660 0.81 ADRB1 (0.50) ACACBHRH3
SCHEMBL6538491 0.79 TSHR (0.62) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL6132957 0.78 HRH3 (0.55) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL6134902 0.78 ALDH1A1 (0.50) MAPTHPGDTSHRALDH1A1ACACB
SCHEMBL6134824 0.78 HRH1 (0.48) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL7340490 0.78 KMT2A (0.66) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL15693338 0.78 MAPT (0.79) MAPTTSHRALDH1A1KDM4ESMN1; SMN2

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