SCHEMBL7724909

SCHEMBL7724909

Cc1cc(CC(=O)Nc2c(O)cccc2O)cc(C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.48
SELP P16109 2/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SELL P14151 1/20 0.47
SELE P16581 1/20 0.46
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7735144 0.81 NLRP3 (0.48) NLRP3SELPSELEHPGDSMN1; SMN2
SCHEMBL24325644 0.76 LMNA (0.47) NLRP3SELPSELLSMN1; SMN2GAA
SCHEMBL11248155 0.73 HPGD (0.45) SELPL3MBTL1SELLSELEHPGD
SCHEMBL10732738 0.72 RAB9A (0.50) POLBL3MBTL1HPGDRAB9ASMN1; SMN2
SCHEMBL1850010 0.72 MEN1 (0.68) NLRP3POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13541545 0.70 HPGD (0.70) POLBHPGDSMN1; SMN2GAAMEN1
Hydrochloric Acid SCHEMBL30124838 0.70 POLB (0.66) POLBL3MBTL1HPGDNPC1RAB9A
SCHEMBL9774913 0.69 HPGD (0.41) SELPL3MBTL1SELLSELEHPGD
SCHEMBL4901648 0.69 SMN1; SMN2 (0.54) POLBL3MBTL1SMN1; SMN2GAAMEN1
SCHEMBL3860685 0.69 SMN1; SMN2 (0.58) POLBNPC1RAB9ASMN1; SMN2MEN1

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed