SCHEMBL29880833

SCHEMBL29880833

Cc1c(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)ccc2oc(C(=O)O)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.60
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 2/20 0.50
ALOX15 P16050 1/20 0.50
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.45
CNR1 P21554 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MCL1 Q07820 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1885501 1.00 NR1H4 (0.60) NR1H4LMNATSHRTP53ALOX15
SCHEMBL1891478 0.90 LMNA (0.49) NR1H4LMNATSHRTP53ALOX15
SCHEMBL1885644 0.88 NR1H4 (0.48) NR1H4LMNATSHRTP53ALOX15
SCHEMBL16354275 0.85 LMNA (0.47) NR1H4LMNATSHRTP53ALOX15
SCHEMBL1890026 0.85 NR1H4 (0.60) NR1H4LMNATSHRTP53KDM4E
SCHEMBL29881721 0.84 NR1H4 (0.70) NR1H4LMNATSHRTP53KDM4E
SCHEMBL1890490 0.84 NR1H4 (0.70) NR1H4LMNATSHRTP53KDM4E
SCHEMBL1889266 0.82 NR1H4 (0.60) NR1H4TSHRTP53KDM4EHSD17B10
SCHEMBL29881275 0.82 NR1H4 (0.60) NR1H4TSHRTP53KDM4EHSD17B10
SCHEMBL1894949 0.81 NR1H4 (0.72) NR1H4TSHRALOX15CNR1ALDH1A1

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
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed