SCHEMBL8780384

SCHEMBL8780384

CC(C)CCCOc1ccccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.58
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
ADRB2 P07550 4/20 0.56
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.53
ADRB1 P08588 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL27459272 0.89 HTR7 (0.51) HTR7TP53MAPK1RAB9AADRB2
SCHEMBL7283000 0.84 KDM4E (0.45) HTR7TP53MAPK1RAB9AADRB2
SCHEMBL15522001 0.83 TP53 (0.71) HTR7TP53MAPK1RAB9AADRB2
SCHEMBL13740267 0.83 TP53 (0.71) HTR7TP53MAPK1RAB9AADRB2
SCHEMBL19806810 0.83 HTT (0.51) KDM4ELMNAMEN1KMT2AL3MBTL1
SCHEMBL28658769 0.81 HTR7 (0.57) HTR7TP53MAPK1RAB9AADRB2
SCHEMBL13739614 0.81 TP53 (0.69) HTR7TP53MAPK1RAB9AADRB2
SCHEMBL13739595 0.81 TP53 (0.74) HTR7TP53MAPK1RAB9AADRB2
SCHEMBL9228166 0.81 ADRB2 (0.55) HTR7TP53MAPK1RAB9AADRB2
SCHEMBL10526915 0.81 ADRB2 (0.54) HTR7TP53MAPK1RAB9AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed