SCHEMBL9767647

SCHEMBL9767647

CCCCC1(CCCC)Oc2ccc([N+](=O)[O-])cc2C2OC21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESPL1 Q14674 2/20 0.43
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MAPT P10636 2/20 0.35
AKR1B1 P15121 2/20 0.34
SLC10A2 Q12908 2/20 0.34
TLR3 O15455 2/20 0.33
POLB P06746 1/20 0.33
KCNH2 Q12809 1/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL9766984 0.88 LMNA (0.37) ESPL1LMNAHTTSMN1; SMN2MEN1
SCHEMBL8130434 0.83 LMNA (0.35) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL8536317 0.82 MAPT (0.39) LMNAHTTSMN1; SMN2KMT2AMAPT
SCHEMBL8536503 0.82 MAPT (0.39) LMNAHTTSMN1; SMN2KMT2AMAPT
SCHEMBL9767087 0.80 AKR1B1 (0.39) ESPL1LMNAHTTSMN1; SMN2MEN1
SCHEMBL9767521 0.80 ESPL1 (0.42) ESPL1LMNAHTTSMN1; SMN2MEN1
SCHEMBL9767527 0.80 ESPL1 (0.42) ESPL1LMNAHTTSMN1; SMN2MEN1
SCHEMBL9865865 0.80 ESPL1 (0.42) ESPL1LMNAHTTSMN1; SMN2MEN1
SCHEMBL7768140 0.79 ABCC9 (0.39) LMNAHTTSMN1; SMN2MEN1KMT2A
SCHEMBL3947212 0.79 ABCC9 (0.39) LMNAHTTSMN1; SMN2MEN1KMT2A

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-5072006-A Chemical intermeidate; hypotensive agents, muscle relaxants RECHERCHE SYNTEX FRANCE S.A. (FR) 1991-12-10 US disclosed
US-4997846-A Smooth muscle relaxants, hypotensives RESEARCHE SYNTEX FRANCE, S.A. (FR) 1991-03-05 US disclosed
EP-0377966-A2 Novel benzopyranylpyrrolinone derivatives RECHERCHE SYNTEX FRANCE SA (FR) 1990-07-18 EP disclosed