SCHEMBL8127248

SCHEMBL8127248

O=Cc1ccc(OCc2nc3c(cc2C(=O)O)CCCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
RXRB P28702 3/20 0.40
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR2F2 P24468 1/20 0.38
ATM Q13315 1/20 0.38
RXRA P19793 2/20 0.38
RXRG P48443 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRL1 P41146 1/20 0.36

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
SCHEMBL7913287 0.86 KDM4E (0.54) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7910337 0.77 KDM4E (0.55) RAB9ARXRBALDH1A1SMN1; SMN2MAPT
SCHEMBL9312600 0.67 ALDH1A1 (0.43) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL4050992 0.67 RXRB (0.64) RAB9ARXRBALDH1A1SMN1; SMN2MAPT
SCHEMBL2894580 0.66 SLC9A1 (0.48) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7913282 0.66 KDM4E (0.49) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7910295 0.65 SLC9A1 (0.65) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2556246 0.65 ALDH1A1 (0.54) RAB9AALDH1A1SMN1; SMN2LMNATP53
SCHEMBL23090393 0.65 KDM4E (0.47) RAB9AALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL10471696 0.65 KDM4E (0.46) RAB9AALDH1A1SMN1; SMN2MAPTLMNA

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-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed