SCHEMBL9876498

SCHEMBL9876498

CC1(C)Oc2ccc(OC(=O)O)cc2C2OC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 5/20 0.39
KCNQ1 P51787 5/20 0.39
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 6/20 0.36
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CNR1 P21554 1/20 0.35
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL7258457 0.81 HTR2B (0.41) MAPTSMN1; SMN2TSHRALDH1A1MEN1
SCHEMBL482263 0.78 ABCC9 (0.49) MAPTCNR2ALDH1A1CNR1RAB9A
SCHEMBL4715927 0.78 ABCC9 (0.49) MAPTCNR2ALDH1A1CNR1RAB9A
SCHEMBL482265 0.78 ABCC9 (0.49) MAPTCNR2ALDH1A1CNR1RAB9A
SCHEMBL7870442 0.77 KCNE1 (0.36) KCNE1KCNQ1
SCHEMBL6935375 0.76 KCNE1 (0.57) KCNE1KCNQ1SMN1; SMN2HIF1AALDH1A1
SCHEMBL7693611 0.76 KDM4E (0.41)
SCHEMBL7048877 0.76 KDM4E (0.41)
SCHEMBL6931951 0.76 KCNE1 (0.54) KCNE1KCNQ1MAPTTSHRALDH1A1
SCHEMBL10956358 0.76 ALOX5 (0.45) SMN1; SMN2RAB9A

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
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed