SCHEMBL27516151

SCHEMBL27516151

CC(OC(=O)CCCC(=O)O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.47
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.42
FOLH1 Q04609 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 2/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL27995662 0.86 HTR7 (0.50) KMT2AMAPTLMNAKDM4EALDH1A1
SCHEMBL19182 0.83 FFAR1 (0.50) TBXA2RMAPTTSHRKDM4EFFAR1
SCHEMBL27884835 0.81 FFAR1 (0.49) TBXA2RMAPTLMNAKDM4EFFAR1
SCHEMBL27912072 0.79 MAPT (0.42) MAPTLMNAKDM4EALDH1A1
SCHEMBL27995663 0.79 MAPT (0.42) MAPTLMNAKDM4EALDH1A1
SCHEMBL1054349 0.77 HCAR2 (0.53) KMT2AMAPTLMNATSHRKDM4E
Hydrochloric Acid SCHEMBL27554656 0.77 MAPT (0.45) KMT2AMAPTLMNAKDM4EALDH1A1
SCHEMBL27541725 0.77 KMT2A (0.42) KMT2AMAPTTSHRFFAR4KDM4E
SCHEMBL4251848 0.76 FFAR1 (0.53) MAPTTSHRKDM4EFFAR1ALDH1A1
SCHEMBL21626578 0.76 FFAR1 (0.53) MAPTTSHRKDM4EFFAR1ALDH1A1

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-1268889-A Novel process for obtg. intermediates SMITHKLINE BEECHAM CORP (US) 2000-10-04 CN disclosed