SCHEMBL7569237

SCHEMBL7569237

CCCCC(=O)Nc1cc(C(=O)O)ccc1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
ACE2 Q9BYF1 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
CETP P11597 1/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
SELE P16581 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7569087 0.82 SELL (0.62) HTTALDH1A1KDM4EPOLBCYP1A2
SCHEMBL8095271 0.79 HSP90AA1 (0.44) HTTALDH1A1KDM4EPOLBNPC1
SCHEMBL10584504 0.79 POLB (0.57) HTTALDH1A1KDM4EPOLBCYP1A2
SCHEMBL7575179 0.78 HTT (0.54) HTTALDH1A1KDM4EPOLBNPC1
SCHEMBL7569415 0.78 KDM4E (0.60) HTTALDH1A1KDM4EPOLBNPC1
SCHEMBL7596213 0.77 ALDH1A1 (0.51) HTTALDH1A1KDM4EPOLBLMNA
SCHEMBL10978879 0.77 SELL (0.60) HTTALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL21998687 0.77 KDM4E (0.65) HTTALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL21998893 0.77 KDM4E (0.65) HTTALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL21998912 0.77 KDM4E (0.65) HTTALDH1A1KDM4EPOLBSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685470-B1 Benzene derivatives and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2002-09-11 EP disclosed
EP-0685470-A2 Benzene derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-06 EP disclosed